N-[1-[4-(2-amino-2-cyclopentylacetyl)-6-oxo-3,3a,5,6a-tetrahydro-2H-pyrrolo[3,2-b]pyrrol-1-yl]-4-methyl-1-oxopentan-2-yl]-5-phenylthiophene-2-carboxamide

C30H38N4O4S — CID 68891057

IUPACN-[1-[4-(2-amino-2-cyclopentylacetyl)-6-oxo-3,3a,5,6a-tetrahydro-2H-pyrrolo[3,2-b]pyrrol-1-yl]-4-methyl-1-oxopentan-2-yl]-5-phenylthiophene-2-carboxamide
SMILESCC(C)CC(NC(=O)c1ccc(-c2ccccc2)s1)C(=O)N1CCC2C1C(=O)CN2C(=O)C(N)C1CCCC1
InChIInChI=1S/C30H38N4O4S/c1-18(2)16-21(32-28(36)25-13-12-24(39-25)19-8-4-3-5-9-19)29(37)33-15-14-22-27(33)23(35)17-34(22)30(38)26(31)20-10-6-7-11-20/h3-5,8-9,12-13,18,20-22,26-27H,6-7,10-11,14-17,31H2,1-2H3,(H,32,36)
InChIKeyNHTVNNNPFIQYMM-UHFFFAOYSA-N
MW550.73 g/mol
LogP3.46
Rot. Bonds8

About N-[1-[4-(2-amino-2-cyclopentylacetyl)-6-oxo-3,3a,5,6a-tetrahydro-2H-pyrrolo[3,2-b]pyrrol-1-yl]-4-methyl-1-oxopentan-2-yl]-5-phenylthiophene-2-carboxamide

N-[1-[4-(2-amino-2-cyclopentylacetyl)-6-oxo-3,3a,5,6a-tetrahydro-2H-pyrrolo[3,2-b]pyrrol-1-yl]-4-methyl-1-oxopentan-2-yl]-5-phenylthiophene-2-carboxamide (PubChem CID 68891057) has the molecular formula C30H38N4O4S and a molecular weight of 550.73 g/mol. Its IUPAC name is N-[1-[4-(2-amino-2-cyclopentylacetyl)-6-oxo-3,3a,5,6a-tetrahydro-2H-pyrrolo[3,2-b]pyrrol-1-yl]-4-methyl-1-oxopentan-2-yl]-5-phenylthiophene-2-carboxamide.

Molecular Properties

Compound NameN-[1-[4-(2-amino-2-cyclopentylacetyl)-6-oxo-3,3a,5,6a-tetrahydro-2H-pyrrolo[3,2-b]pyrrol-1-yl]-4-methyl-1-oxopentan-2-yl]-5-phenylthiophene-2-carboxamide
PubChem CID68891057
Molecular FormulaC30H38N4O4S
Molecular Weight550.73 g/mol
Exact Mass550.26
IUPAC NameN-[1-[4-(2-amino-2-cyclopentylacetyl)-6-oxo-3,3a,5,6a-tetrahydro-2H-pyrrolo[3,2-b]pyrrol-1-yl]-4-methyl-1-oxopentan-2-yl]-5-phenylthiophene-2-carboxamide
SMILESCC(C)CC(NC(=O)c1ccc(-c2ccccc2)s1)C(=O)N1CCC2C1C(=O)CN2C(=O)C(N)C1CCCC1
InChIInChI=1S/C30H38N4O4S/c1-18(2)16-21(32-28(36)25-13-12-24(39-25)19-8-4-3-5-9-19)29(37)33-15-14-22-27(33)23(35)17-34(22)30(38)26(31)20-10-6-7-11-20/h3-5,8-9,12-13,18,20-22,26-27H,6-7,10-11,14-17,31H2,1-2H3,(H,32,36)
InChIKeyNHTVNNNPFIQYMM-UHFFFAOYSA-N
XLogP3.46
TPSA112.81 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms39
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500550.73
LogP ≤ 53.46
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Analyze N-[1-[4-(2-amino-2-cyclopentylacetyl)-6-oxo-3,3a,5,6a-tetrahydro-2H-pyrrolo[3,2-b]pyrrol-1-yl]-4-methyl-1-oxopentan-2-yl]-5-phenylthiophene-2-carboxamide with MolForge

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Related Compounds

N-[(2S)-1-[(3aR,6aS)-4-benzoyl-6-oxo-3,3a,5,6a-tetrahydro-2H-pyrrolo[3,2-b]pyrrol-1-yl]-4-methyl-1-oxopentan-2-yl]-5-phenylthiophene-2-carboxamide
CID 58640279
N-[4-methyl-1-oxo-1-[6-oxo-4-(pyridine-4-carbonyl)-3,3a,5,6a-tetrahydro-2H-pyrrolo[3,2-b]pyrrol-1-yl]pentan-2-yl]-5-phenylthiophene-2-carboxamide
CID 68889958
N-[4-methyl-1-oxo-1-[6-oxo-4-(2-piperazin-1-ylacetyl)-3,3a,5,6a-tetrahydro-2H-pyrrolo[3,2-b]pyrrol-1-yl]pentan-2-yl]-5-phenylthiophene-2-carboxamide
CID 68888362
4-tert-butyl-N-[4-methyl-1-oxo-1-[6-oxo-4-(5-phenylthiophene-2-carbonyl)-3,3a,5,6a-tetrahydro-2H-pyrrolo[3,2-b]pyrrol-1-yl]pentan-2-yl]benzamide
CID 68962367
N-[4-methyl-1-oxo-1-[6-oxo-4-(pyridine-2-carbonylsulfonyl)-3,3a,5,6a-tetrahydro-2H-pyrrolo[3,2-b]pyrrol-1-yl]pentan-2-yl]-5-phenylthiophene-2-carboxamide
CID 90917886
N-[4-methyl-1-[4-(1-oxidopyridin-1-ium-4-yl)sulfonyl-6-oxo-3,3a,5,6a-tetrahydro-2H-pyrrolo[3,2-b]pyrrol-1-yl]-1-oxopentan-2-yl]-5-phenylthiophene-2-carboxamide
CID 68891464
(5-phenylthiophen-2-yl) N-[1-[4-(2-aminobutanoyl)-6-oxo-3,3a,5,6a-tetrahydro-2H-pyrrolo[3,2-b]pyrrol-1-yl]-4-methyl-1-oxopentan-2-yl]carbamate
CID 68889309
N-[1-[4-(2-amino-2-cyclohexylacetyl)-6-oxo-3,3a,5,6a-tetrahydro-2H-pyrrolo[3,2-b]pyrrol-1-yl]-4-methyl-1-oxopentan-2-yl]-4-morpholin-4-ylbenzamide
CID 68889642
N-[1-oxo-1-[6-oxo-4-(pyridine-2-carbonyl)-3,3a,5,6a-tetrahydro-2H-pyrrolo[3,2-b]pyrrol-1-yl]pentan-2-yl]-5-phenylthiophene-2-carboxamide
CID 91177411
(5-phenylthiophen-2-yl) N-[1-[4-(2-methoxy-3-methylpentanoyl)-6-oxo-3,3a,5,6a-tetrahydro-2H-pyrrolo[3,2-b]pyrrol-1-yl]-4-methyl-1-oxopentan-2-yl]carbamate
CID 68889876
(5-phenylthiophen-2-yl) N-[1-[4-(cyclopent-3-ene-1-carbonyl)-6-oxo-3,3a,5,6a-tetrahydro-2H-pyrrolo[3,2-b]pyrrol-1-yl]-4-methyl-1-oxopentan-2-yl]carbamate
CID 68889578
N-[1-[4-(2-amino-4,4-dimethylpentanoyl)-6-oxo-3,3a,5,6a-tetrahydro-2H-pyrrolo[3,2-b]pyrrol-1-yl]-4-methyl-1-oxopentan-2-yl]-4-thiophen-2-ylbenzamide
CID 68889252

Frequently Asked Questions

What is the IUPAC name of N-[1-[4-(2-amino-2-cyclopentylacetyl)-6-oxo-3,3a,5,6a-tetrahydro-2H-pyrrolo[3,2-b]pyrrol-1-yl]-4-methyl-1-oxopentan-2-yl]-5-phenylthiophene-2-carboxamide?
The IUPAC name of N-[1-[4-(2-amino-2-cyclopentylacetyl)-6-oxo-3,3a,5,6a-tetrahydro-2H-pyrrolo[3,2-b]pyrrol-1-yl]-4-methyl-1-oxopentan-2-yl]-5-phenylthiophene-2-carboxamide (CID 68891057) is N-[1-[4-(2-amino-2-cyclopentylacetyl)-6-oxo-3,3a,5,6a-tetrahydro-2H-pyrrolo[3,2-b]pyrrol-1-yl]-4-methyl-1-oxopentan-2-yl]-5-phenylthiophene-2-carboxamide.
What is the SMILES notation for N-[1-[4-(2-amino-2-cyclopentylacetyl)-6-oxo-3,3a,5,6a-tetrahydro-2H-pyrrolo[3,2-b]pyrrol-1-yl]-4-methyl-1-oxopentan-2-yl]-5-phenylthiophene-2-carboxamide?
The canonical SMILES for N-[1-[4-(2-amino-2-cyclopentylacetyl)-6-oxo-3,3a,5,6a-tetrahydro-2H-pyrrolo[3,2-b]pyrrol-1-yl]-4-methyl-1-oxopentan-2-yl]-5-phenylthiophene-2-carboxamide is CC(C)CC(NC(=O)c1ccc(-c2ccccc2)s1)C(=O)N1CCC2C1C(=O)CN2C(=O)C(N)C1CCCC1.
What is the InChIKey of N-[1-[4-(2-amino-2-cyclopentylacetyl)-6-oxo-3,3a,5,6a-tetrahydro-2H-pyrrolo[3,2-b]pyrrol-1-yl]-4-methyl-1-oxopentan-2-yl]-5-phenylthiophene-2-carboxamide?
The InChIKey is NHTVNNNPFIQYMM-UHFFFAOYSA-N. The full InChI is InChI=1S/C30H38N4O4S/c1-18(2)16-21(32-28(36)25-13-12-24(39-25)19-8-4-3-5-9-19)29(37)33-15-14-22-27(33)23(35)17-34(22)30(38)26(31)20-10-6-7-11-20/h3-5,8-9,12-13,18,20-22,26-27H,6-7,10-11,14-17,31H2,1-2H3,(H,32,36).
What are the key properties of N-[1-[4-(2-amino-2-cyclopentylacetyl)-6-oxo-3,3a,5,6a-tetrahydro-2H-pyrrolo[3,2-b]pyrrol-1-yl]-4-methyl-1-oxopentan-2-yl]-5-phenylthiophene-2-carboxamide?
N-[1-[4-(2-amino-2-cyclopentylacetyl)-6-oxo-3,3a,5,6a-tetrahydro-2H-pyrrolo[3,2-b]pyrrol-1-yl]-4-methyl-1-oxopentan-2-yl]-5-phenylthiophene-2-carboxamide has a molecular weight of 550.73 g/mol, XLogP of 3.46, 8 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-[4-(2-amino-2-cyclopentylacetyl)-6-oxo-3,3a,5,6a-tetrahydro-2H-pyrrolo[3,2-b]pyrrol-1-yl]-4-methyl-1-oxopentan-2-yl]-5-phenylthiophene-2-carboxamide is sourced from PubChem (CID 68891057), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).