N-[3-(2,2-dimethylpropanoyl)thiophen-2-yl]-1-[2-[(1-methoxypyrrolidine-2-carbonyl)amino]thiophene-3-carbonyl]pyrrolidine-2-carboxamide

C25H32N4O5S2 — CID 102292587

IUPACN-[3-(2,2-dimethylpropanoyl)thiophen-2-yl]-1-[2-[(1-methoxypyrrolidine-2-carbonyl)amino]thiophene-3-carbonyl]pyrrolidine-2-carboxamide
SMILESCON1CCCC1C(=O)Nc1sccc1C(=O)N1CCCC1C(=O)Nc1sccc1C(=O)C(C)(C)C
InChIInChI=1S/C25H32N4O5S2/c1-25(2,3)19(30)15-9-13-35-22(15)26-20(31)17-7-5-11-28(17)24(33)16-10-14-36-23(16)27-21(32)18-8-6-12-29(18)34-4/h9-10,13-14,17-18H,5-8,11-12H2,1-4H3,(H,26,31)(H,27,32)
InChIKeyMTTLUOIGJLVFRO-UHFFFAOYSA-N
MW532.69 g/mol
LogP4.25
Rot. Bonds7

About N-[3-(2,2-dimethylpropanoyl)thiophen-2-yl]-1-[2-[(1-methoxypyrrolidine-2-carbonyl)amino]thiophene-3-carbonyl]pyrrolidine-2-carboxamide

N-[3-(2,2-dimethylpropanoyl)thiophen-2-yl]-1-[2-[(1-methoxypyrrolidine-2-carbonyl)amino]thiophene-3-carbonyl]pyrrolidine-2-carboxamide (PubChem CID 102292587) has the molecular formula C25H32N4O5S2 and a molecular weight of 532.69 g/mol. Its IUPAC name is N-[3-(2,2-dimethylpropanoyl)thiophen-2-yl]-1-[2-[(1-methoxypyrrolidine-2-carbonyl)amino]thiophene-3-carbonyl]pyrrolidine-2-carboxamide.

Molecular Properties

Compound NameN-[3-(2,2-dimethylpropanoyl)thiophen-2-yl]-1-[2-[(1-methoxypyrrolidine-2-carbonyl)amino]thiophene-3-carbonyl]pyrrolidine-2-carboxamide
PubChem CID102292587
Molecular FormulaC25H32N4O5S2
Molecular Weight532.69 g/mol
Exact Mass532.18
IUPAC NameN-[3-(2,2-dimethylpropanoyl)thiophen-2-yl]-1-[2-[(1-methoxypyrrolidine-2-carbonyl)amino]thiophene-3-carbonyl]pyrrolidine-2-carboxamide
SMILESCON1CCCC1C(=O)Nc1sccc1C(=O)N1CCCC1C(=O)Nc1sccc1C(=O)C(C)(C)C
InChIInChI=1S/C25H32N4O5S2/c1-25(2,3)19(30)15-9-13-35-22(15)26-20(31)17-7-5-11-28(17)24(33)16-10-14-36-23(16)27-21(32)18-8-6-12-29(18)34-4/h9-10,13-14,17-18H,5-8,11-12H2,1-4H3,(H,26,31)(H,27,32)
InChIKeyMTTLUOIGJLVFRO-UHFFFAOYSA-N
XLogP4.25
TPSA108.05 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds7
Heavy Atoms36
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500532.69
LogP ≤ 54.25
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 108

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Related Compounds

N-[3-(2,2-dimethylpropanoyl)thiophen-2-yl]acetamide
CID 71999399
1-(2-methylbenzoyl)-N-(1,3-thiazol-2-yl)pyrrolidine-2-carboxamide
CID 46758046
1-(2-methylbenzoyl)-N-(2-methylphenyl)pyrrolidine-2-carboxamide
CID 46744827
2-[[2-(dimethylcarbamoyl)pyrrolidine-1-carbonyl]amino]thiophene-3-carboxylic acid
CID 63113917
(2R)-1-(2-oxo-1H-pyridine-3-carbonyl)-N-(1,3-thiazol-2-yl)pyrrolidine-2-carboxamide
CID 95286227
N-(3,5-dimethoxyphenyl)-1-(thiophene-2-carbonyl)pyrrolidine-2-carboxamide
CID 17406462
1-(2-methyl-5-piperidin-1-ylsulfonylbenzoyl)-N-(1,3-thiazol-2-yl)pyrrolidine-2-carboxamide
CID 55597802
(2R)-N-[3-(methylcarbamoyl)thiophen-2-yl]-1-thiophen-2-ylsulfonylpyrrolidine-2-carboxamide
CID 7614856
tert-butyl N-[2-[[(2S)-1-(thiophene-2-carbonyl)pyrrolidine-2-carbonyl]amino]ethyl]carbamate
CID 47082171
N-(4-methoxyphenyl)-1-(4,5,6,7-tetrahydro-1-benzothiophene-3-carbonyl)pyrrolidine-2-carboxamide
CID 55965328
(2S)-N-(4-chloro-2-methoxy-5-methylphenyl)-1-(thiophene-2-carbonyl)pyrrolidine-2-carboxamide
CID 2559010
1-(2,5-dimethylfuran-3-carbonyl)-N-(1,3-thiazol-2-yl)pyrrolidine-2-carboxamide
CID 136576772

Frequently Asked Questions

What is the IUPAC name of N-[3-(2,2-dimethylpropanoyl)thiophen-2-yl]-1-[2-[(1-methoxypyrrolidine-2-carbonyl)amino]thiophene-3-carbonyl]pyrrolidine-2-carboxamide?
The IUPAC name of N-[3-(2,2-dimethylpropanoyl)thiophen-2-yl]-1-[2-[(1-methoxypyrrolidine-2-carbonyl)amino]thiophene-3-carbonyl]pyrrolidine-2-carboxamide (CID 102292587) is N-[3-(2,2-dimethylpropanoyl)thiophen-2-yl]-1-[2-[(1-methoxypyrrolidine-2-carbonyl)amino]thiophene-3-carbonyl]pyrrolidine-2-carboxamide.
What is the SMILES notation for N-[3-(2,2-dimethylpropanoyl)thiophen-2-yl]-1-[2-[(1-methoxypyrrolidine-2-carbonyl)amino]thiophene-3-carbonyl]pyrrolidine-2-carboxamide?
The canonical SMILES for N-[3-(2,2-dimethylpropanoyl)thiophen-2-yl]-1-[2-[(1-methoxypyrrolidine-2-carbonyl)amino]thiophene-3-carbonyl]pyrrolidine-2-carboxamide is CON1CCCC1C(=O)Nc1sccc1C(=O)N1CCCC1C(=O)Nc1sccc1C(=O)C(C)(C)C.
What is the InChIKey of N-[3-(2,2-dimethylpropanoyl)thiophen-2-yl]-1-[2-[(1-methoxypyrrolidine-2-carbonyl)amino]thiophene-3-carbonyl]pyrrolidine-2-carboxamide?
The InChIKey is MTTLUOIGJLVFRO-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H32N4O5S2/c1-25(2,3)19(30)15-9-13-35-22(15)26-20(31)17-7-5-11-28(17)24(33)16-10-14-36-23(16)27-21(32)18-8-6-12-29(18)34-4/h9-10,13-14,17-18H,5-8,11-12H2,1-4H3,(H,26,31)(H,27,32).
What are the key properties of N-[3-(2,2-dimethylpropanoyl)thiophen-2-yl]-1-[2-[(1-methoxypyrrolidine-2-carbonyl)amino]thiophene-3-carbonyl]pyrrolidine-2-carboxamide?
N-[3-(2,2-dimethylpropanoyl)thiophen-2-yl]-1-[2-[(1-methoxypyrrolidine-2-carbonyl)amino]thiophene-3-carbonyl]pyrrolidine-2-carboxamide has a molecular weight of 532.69 g/mol, XLogP of 4.25, 7 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-(2,2-dimethylpropanoyl)thiophen-2-yl]-1-[2-[(1-methoxypyrrolidine-2-carbonyl)amino]thiophene-3-carbonyl]pyrrolidine-2-carboxamide is sourced from PubChem (CID 102292587), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).