(3R,4S)-3-[(5-chlorothiophene-2-carbonyl)amino]-N-methyl-4-[[4-(2-oxo-1-pyridinyl)benzoyl]amino]pyrrolidine-1-carboxamide

C23H22ClN5O4S — CID 11191236

IUPAC(3R,4S)-3-[(5-chlorothiophene-2-carbonyl)amino]-N-methyl-4-[[4-(2-oxo-1-pyridinyl)benzoyl]amino]pyrrolidine-1-carboxamide
SMILESCNC(=O)N1C[C@H](NC(=O)c2ccc(-n3ccccc3=O)cc2)[C@H](NC(=O)c2ccc(Cl)s2)C1
InChIInChI=1S/C23H22ClN5O4S/c1-25-23(33)28-12-16(17(13-28)27-22(32)18-9-10-19(24)34-18)26-21(31)14-5-7-15(8-6-14)29-11-3-2-4-20(29)30/h2-11,16-17H,12-13H2,1H3,(H,25,33)(H,26,31)(H,27,32)/t16-,17+/m0/s1
InChIKeyWDGSIXLLWZZNKD-DLBZAZTESA-N
MW499.98 g/mol
LogP2.10
Rot. Bonds5

About (3R,4S)-3-[(5-chlorothiophene-2-carbonyl)amino]-N-methyl-4-[[4-(2-oxo-1-pyridinyl)benzoyl]amino]pyrrolidine-1-carboxamide

(3R,4S)-3-[(5-chlorothiophene-2-carbonyl)amino]-N-methyl-4-[[4-(2-oxo-1-pyridinyl)benzoyl]amino]pyrrolidine-1-carboxamide (PubChem CID 11191236) has the molecular formula C23H22ClN5O4S and a molecular weight of 499.98 g/mol. Its IUPAC name is (3R,4S)-3-[(5-chlorothiophene-2-carbonyl)amino]-N-methyl-4-[[4-(2-oxo-1-pyridinyl)benzoyl]amino]pyrrolidine-1-carboxamide.

Molecular Properties

Compound Name(3R,4S)-3-[(5-chlorothiophene-2-carbonyl)amino]-N-methyl-4-[[4-(2-oxo-1-pyridinyl)benzoyl]amino]pyrrolidine-1-carboxamide
PubChem CID11191236
Molecular FormulaC23H22ClN5O4S
Molecular Weight499.98 g/mol
Exact Mass499.11
IUPAC Name(3R,4S)-3-[(5-chlorothiophene-2-carbonyl)amino]-N-methyl-4-[[4-(2-oxo-1-pyridinyl)benzoyl]amino]pyrrolidine-1-carboxamide
SMILESCNC(=O)N1C[C@H](NC(=O)c2ccc(-n3ccccc3=O)cc2)[C@H](NC(=O)c2ccc(Cl)s2)C1
InChIInChI=1S/C23H22ClN5O4S/c1-25-23(33)28-12-16(17(13-28)27-22(32)18-9-10-19(24)34-18)26-21(31)14-5-7-15(8-6-14)29-11-3-2-4-20(29)30/h2-11,16-17H,12-13H2,1H3,(H,25,33)(H,26,31)(H,27,32)/t16-,17+/m0/s1
InChIKeyWDGSIXLLWZZNKD-DLBZAZTESA-N
XLogP2.10
TPSA112.54 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500499.98
LogP ≤ 52.10
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

Analyze (3R,4S)-3-[(5-chlorothiophene-2-carbonyl)amino]-N-methyl-4-[[4-(2-oxo-1-pyridinyl)benzoyl]amino]pyrrolidine-1-carboxamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

5-Chloro-N-((1R,2S)-2-(4-(2-oxopyridin-1(2H)-YL)benzamido) cyclopentyl)thiophene-2-carboxamide
CID 9954980
5-chloro-N-(2-(4-(2-oxopyridin-1(2H)-yl)benzamido)ethyl)thiophene-2-carboxamide
CID 10250490
(S)-4-(3-(2-(5-chlorothiophen-2-yl)vinylsulfonamido)-2-oxopyrrolidin-1-yl)-3-fluoro-N-methylbenzamide
CID 46226323
4-[(3s)-3-({[(E)-2-(5-Chlorothiophen-2-Yl)ethenyl]sulfonyl}amino)-2-Oxopyrrolidin-1-Yl]-3-Fluoro-N,N-Dimethylbenzamide
CID 46226324
(1S,3R,4S)-methyl 3-(2-chlorothiophene-5-carboxamido)-4-(4-(2-oxopyridin-1(2H)-yl)benzamido)cyclopentanecarboxylate
CID 11294993
(3R,4S)-ethyl 3-(2-chlorothiophene-5-carboxamido)-4-(4-(2-oxopyridin-1(2H)-yl)benzamido)pyrrolidine-1-carboxylate
CID 24180463
5-chloro-N-((1S,2R)-1-(4-(2-oxopyridin-1(2H)-yl)benzamido)-2,3-dihydro-1H-inden-2-yl)thiophene-2-carboxamide
CID 44434807
5-chloro-N-((1R,2S,4S)-4-(hydroxymethyl)-2-(4-(2-oxopyridin-1(2H)-yl)benzamido)cyclopentyl)thiophene-2-carboxamide
CID 44434808
N-((3R,4S)-1-acetyl-4-(4-(2-oxopyridin-1(2H)-yl)benzamido)pyrrolidin-3-yl)-5-chlorothiophene-2-carboxamide
CID 44434818
5-chloro-N-((3R,4S)-1-(2-methoxyacetyl)-4-(4-(2-oxopyridin-1(2H)-yl)benzamido)pyrrolidin-3-yl)thiophene-2-carboxamide
CID 44434830
(3R,4S)-methyl 3-(2-chlorothiophene-5-carboxamido)-4-(4-(2-oxopyridin-1(2H)-yl)benzamido)pyrrolidine-1-carboxylate
CID 44434831
(3R,4S)-2-methoxyethyl 3-(2-chlorothiophene-5-carboxamido)-4-(4-(2-oxopyridin-1(2H)-yl)benzamido)pyrrolidine-1-carboxylate
CID 44434833

Frequently Asked Questions

What is the IUPAC name of (3R,4S)-3-[(5-chlorothiophene-2-carbonyl)amino]-N-methyl-4-[[4-(2-oxo-1-pyridinyl)benzoyl]amino]pyrrolidine-1-carboxamide?
The IUPAC name of (3R,4S)-3-[(5-chlorothiophene-2-carbonyl)amino]-N-methyl-4-[[4-(2-oxo-1-pyridinyl)benzoyl]amino]pyrrolidine-1-carboxamide (CID 11191236) is (3R,4S)-3-[(5-chlorothiophene-2-carbonyl)amino]-N-methyl-4-[[4-(2-oxo-1-pyridinyl)benzoyl]amino]pyrrolidine-1-carboxamide.
What is the SMILES notation for (3R,4S)-3-[(5-chlorothiophene-2-carbonyl)amino]-N-methyl-4-[[4-(2-oxo-1-pyridinyl)benzoyl]amino]pyrrolidine-1-carboxamide?
The canonical SMILES for (3R,4S)-3-[(5-chlorothiophene-2-carbonyl)amino]-N-methyl-4-[[4-(2-oxo-1-pyridinyl)benzoyl]amino]pyrrolidine-1-carboxamide is CNC(=O)N1C[C@H](NC(=O)c2ccc(-n3ccccc3=O)cc2)[C@H](NC(=O)c2ccc(Cl)s2)C1.
What is the InChIKey of (3R,4S)-3-[(5-chlorothiophene-2-carbonyl)amino]-N-methyl-4-[[4-(2-oxo-1-pyridinyl)benzoyl]amino]pyrrolidine-1-carboxamide?
The InChIKey is WDGSIXLLWZZNKD-DLBZAZTESA-N. The full InChI is InChI=1S/C23H22ClN5O4S/c1-25-23(33)28-12-16(17(13-28)27-22(32)18-9-10-19(24)34-18)26-21(31)14-5-7-15(8-6-14)29-11-3-2-4-20(29)30/h2-11,16-17H,12-13H2,1H3,(H,25,33)(H,26,31)(H,27,32)/t16-,17+/m0/s1.
What are the key properties of (3R,4S)-3-[(5-chlorothiophene-2-carbonyl)amino]-N-methyl-4-[[4-(2-oxo-1-pyridinyl)benzoyl]amino]pyrrolidine-1-carboxamide?
(3R,4S)-3-[(5-chlorothiophene-2-carbonyl)amino]-N-methyl-4-[[4-(2-oxo-1-pyridinyl)benzoyl]amino]pyrrolidine-1-carboxamide has a molecular weight of 499.98 g/mol, XLogP of 2.10, 5 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (3R,4S)-3-[(5-chlorothiophene-2-carbonyl)amino]-N-methyl-4-[[4-(2-oxo-1-pyridinyl)benzoyl]amino]pyrrolidine-1-carboxamide is sourced from PubChem (CID 11191236), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).