N-[(2R)-1-[[(2R,3R)-2,3-dimethyl-4-oxooxolan-3-yl]amino]-4-methyl-1-oxopentan-2-yl]thiophene-3-carboxamide

C17H24N2O4S — CID 10155000

IUPACN-[(2R)-1-[[(2R,3R)-2,3-dimethyl-4-oxooxolan-3-yl]amino]-4-methyl-1-oxopentan-2-yl]thiophene-3-carboxamide
SMILESCC(C)C[C@@H](NC(=O)c1ccsc1)C(=O)N[C@@]1(C)C(=O)CO[C@@H]1C
InChIInChI=1S/C17H24N2O4S/c1-10(2)7-13(18-15(21)12-5-6-24-9-12)16(22)19-17(4)11(3)23-8-14(17)20/h5-6,9-11,13H,7-8H2,1-4H3,(H,18,21)(H,19,22)/t11-,13-,17-/m1/s1
InChIKeyBAPXVQSUTSMQNR-CJBNDPTMSA-N
MW352.46 g/mol
LogP1.76
Rot. Bonds6

About N-[(2R)-1-[[(2R,3R)-2,3-dimethyl-4-oxooxolan-3-yl]amino]-4-methyl-1-oxopentan-2-yl]thiophene-3-carboxamide

N-[(2R)-1-[[(2R,3R)-2,3-dimethyl-4-oxooxolan-3-yl]amino]-4-methyl-1-oxopentan-2-yl]thiophene-3-carboxamide (PubChem CID 10155000) has the molecular formula C17H24N2O4S and a molecular weight of 352.46 g/mol. Its IUPAC name is N-[(2R)-1-[[(2R,3R)-2,3-dimethyl-4-oxooxolan-3-yl]amino]-4-methyl-1-oxopentan-2-yl]thiophene-3-carboxamide.

Molecular Properties

Compound NameN-[(2R)-1-[[(2R,3R)-2,3-dimethyl-4-oxooxolan-3-yl]amino]-4-methyl-1-oxopentan-2-yl]thiophene-3-carboxamide
PubChem CID10155000
Molecular FormulaC17H24N2O4S
Molecular Weight352.46 g/mol
Exact Mass352.15
IUPAC NameN-[(2R)-1-[[(2R,3R)-2,3-dimethyl-4-oxooxolan-3-yl]amino]-4-methyl-1-oxopentan-2-yl]thiophene-3-carboxamide
SMILESCC(C)C[C@@H](NC(=O)c1ccsc1)C(=O)N[C@@]1(C)C(=O)CO[C@@H]1C
InChIInChI=1S/C17H24N2O4S/c1-10(2)7-13(18-15(21)12-5-6-24-9-12)16(22)19-17(4)11(3)23-8-14(17)20/h5-6,9-11,13H,7-8H2,1-4H3,(H,18,21)(H,19,22)/t11-,13-,17-/m1/s1
InChIKeyBAPXVQSUTSMQNR-CJBNDPTMSA-N
XLogP1.76
TPSA84.50 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500352.46
LogP ≤ 51.76
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze N-[(2R)-1-[[(2R,3R)-2,3-dimethyl-4-oxooxolan-3-yl]amino]-4-methyl-1-oxopentan-2-yl]thiophene-3-carboxamide with MolForge

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Launch Full Analysis

Related Compounds

N-[(2R)-1-[[(2R,3R)-2,3-dimethyl-4-oxooxolan-3-yl]amino]-4-methyl-1-oxopentan-2-yl]-4-phenylbenzamide
CID 10202460
N-[1-[(2,3-dimethyl-4-oxooxolan-3-yl)amino]-4-methyl-1-oxopentan-2-yl]-1-benzothiophene-3-carboxamide
CID 91034750
4-methyl-2-(thiophene-3-carbonylamino)pentanoic acid
CID 16775253
4-tert-butyl-N-[(2S)-1-[[(2R,3R)-2,3-dimethyl-4-oxooxolan-3-yl]amino]-3-(4-hydroxyphenyl)-1-oxopropan-2-yl]benzamide
CID 10182535
methyl 4-methyl-2-(thiophene-3-carbonylamino)pentanoate
CID 43406132
N-[1-[(3aS,6aR)-3-oxo-3a,5,6,6a-tetrahydrofuro[3,2-b]pyrrol-4-yl]-4-methyl-1-oxopentan-2-yl]thiophene-3-carboxamide
CID 163431387
N-[1-[(2,3-dimethyl-4-oxooxolan-3-yl)amino]-4-methyl-1-oxopentan-2-yl]-3-phenylpyrrole-1-carboxamide
CID 90833925
N-[(2S)-3-cyclohexyl-1-[[(2S,3R)-2,3-dimethyl-4-oxooxolan-3-yl]amino]-1-oxopropan-2-yl]furan-3-carboxamide;sulfane
CID 159916584
N-[1-[(2,3-dimethyl-4-oxooxolan-3-yl)amino]-3-(4-hydroxyphenyl)-1-oxopropan-2-yl]-4-phenylthiophene-2-carboxamide
CID 90750073
N-[4-methyl-1-oxo-1-[(3-oxo-4,5,6,6a-tetrahydrocyclopenta[b]furan-3a-yl)amino]pentan-2-yl]furan-3-carboxamide
CID 90912947
(2S)-2-[(4-tert-butylphenyl)methylsulfonyl]-N-[(2R,3R)-2,3-dimethyl-4-oxooxolan-3-yl]-4-methylpentanamide;sulfane
CID 160769819
N-[(1R)-1-[(2R)-oxolan-2-yl]ethyl]thiophene-3-carboxamide
CID 35235171

Frequently Asked Questions

What is the IUPAC name of N-[(2R)-1-[[(2R,3R)-2,3-dimethyl-4-oxooxolan-3-yl]amino]-4-methyl-1-oxopentan-2-yl]thiophene-3-carboxamide?
The IUPAC name of N-[(2R)-1-[[(2R,3R)-2,3-dimethyl-4-oxooxolan-3-yl]amino]-4-methyl-1-oxopentan-2-yl]thiophene-3-carboxamide (CID 10155000) is N-[(2R)-1-[[(2R,3R)-2,3-dimethyl-4-oxooxolan-3-yl]amino]-4-methyl-1-oxopentan-2-yl]thiophene-3-carboxamide.
What is the SMILES notation for N-[(2R)-1-[[(2R,3R)-2,3-dimethyl-4-oxooxolan-3-yl]amino]-4-methyl-1-oxopentan-2-yl]thiophene-3-carboxamide?
The canonical SMILES for N-[(2R)-1-[[(2R,3R)-2,3-dimethyl-4-oxooxolan-3-yl]amino]-4-methyl-1-oxopentan-2-yl]thiophene-3-carboxamide is CC(C)C[C@@H](NC(=O)c1ccsc1)C(=O)N[C@@]1(C)C(=O)CO[C@@H]1C.
What is the InChIKey of N-[(2R)-1-[[(2R,3R)-2,3-dimethyl-4-oxooxolan-3-yl]amino]-4-methyl-1-oxopentan-2-yl]thiophene-3-carboxamide?
The InChIKey is BAPXVQSUTSMQNR-CJBNDPTMSA-N. The full InChI is InChI=1S/C17H24N2O4S/c1-10(2)7-13(18-15(21)12-5-6-24-9-12)16(22)19-17(4)11(3)23-8-14(17)20/h5-6,9-11,13H,7-8H2,1-4H3,(H,18,21)(H,19,22)/t11-,13-,17-/m1/s1.
What are the key properties of N-[(2R)-1-[[(2R,3R)-2,3-dimethyl-4-oxooxolan-3-yl]amino]-4-methyl-1-oxopentan-2-yl]thiophene-3-carboxamide?
N-[(2R)-1-[[(2R,3R)-2,3-dimethyl-4-oxooxolan-3-yl]amino]-4-methyl-1-oxopentan-2-yl]thiophene-3-carboxamide has a molecular weight of 352.46 g/mol, XLogP of 1.76, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2R)-1-[[(2R,3R)-2,3-dimethyl-4-oxooxolan-3-yl]amino]-4-methyl-1-oxopentan-2-yl]thiophene-3-carboxamide is sourced from PubChem (CID 10155000), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).