(3S)-3-[2-(4-cyclopropylsulfonylphenyl)-3-[(5-methylpyrazin-2-yl)amino]-3-oxopropyl]-N-methylpyrrolidine-1-carboxamide

C23H29N5O4S — CID 138556681

IUPAC(3S)-3-[2-(4-cyclopropylsulfonylphenyl)-3-[(5-methylpyrazin-2-yl)amino]-3-oxopropyl]-N-methylpyrrolidine-1-carboxamide
SMILESCNC(=O)N1CC[C@H](CC(C(=O)Nc2cnc(C)cn2)c2ccc(S(=O)(=O)C3CC3)cc2)C1
InChIInChI=1S/C23H29N5O4S/c1-15-12-26-21(13-25-15)27-22(29)20(11-16-9-10-28(14-16)23(30)24-2)17-3-5-18(6-4-17)33(31,32)19-7-8-19/h3-6,12-13,16,19-20H,7-11,14H2,1-2H3,(H,24,30)(H,26,27,29)/t16-,20?/m1/s1
InChIKeyBIYBHQSTSIKUEK-QRIPLOBPSA-N
MW471.58 g/mol
LogP2.49
Rot. Bonds7

About (3S)-3-[2-(4-cyclopropylsulfonylphenyl)-3-[(5-methylpyrazin-2-yl)amino]-3-oxopropyl]-N-methylpyrrolidine-1-carboxamide

(3S)-3-[2-(4-cyclopropylsulfonylphenyl)-3-[(5-methylpyrazin-2-yl)amino]-3-oxopropyl]-N-methylpyrrolidine-1-carboxamide (PubChem CID 138556681) has the molecular formula C23H29N5O4S and a molecular weight of 471.58 g/mol. Its IUPAC name is (3S)-3-[2-(4-cyclopropylsulfonylphenyl)-3-[(5-methylpyrazin-2-yl)amino]-3-oxopropyl]-N-methylpyrrolidine-1-carboxamide.

Molecular Properties

Compound Name(3S)-3-[2-(4-cyclopropylsulfonylphenyl)-3-[(5-methylpyrazin-2-yl)amino]-3-oxopropyl]-N-methylpyrrolidine-1-carboxamide
PubChem CID138556681
Molecular FormulaC23H29N5O4S
Molecular Weight471.58 g/mol
Exact Mass471.19
IUPAC Name(3S)-3-[2-(4-cyclopropylsulfonylphenyl)-3-[(5-methylpyrazin-2-yl)amino]-3-oxopropyl]-N-methylpyrrolidine-1-carboxamide
SMILESCNC(=O)N1CC[C@H](CC(C(=O)Nc2cnc(C)cn2)c2ccc(S(=O)(=O)C3CC3)cc2)C1
InChIInChI=1S/C23H29N5O4S/c1-15-12-26-21(13-25-15)27-22(29)20(11-16-9-10-28(14-16)23(30)24-2)17-3-5-18(6-4-17)33(31,32)19-7-8-19/h3-6,12-13,16,19-20H,7-11,14H2,1-2H3,(H,24,30)(H,26,27,29)/t16-,20?/m1/s1
InChIKeyBIYBHQSTSIKUEK-QRIPLOBPSA-N
XLogP2.49
TPSA121.36 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500471.58
LogP ≤ 52.49
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Analyze (3S)-3-[2-(4-cyclopropylsulfonylphenyl)-3-[(5-methylpyrazin-2-yl)amino]-3-oxopropyl]-N-methylpyrrolidine-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

(3S)-3-[2-(4-cyclopropylsulfonylphenyl)-3-[(5-methyl-1,3-thiazol-2-yl)amino]-3-oxopropyl]-N-methylpyrrolidine-1-carboxamide
CID 138556674
3-[2-(4-cyclopropylsulfonylphenyl)-3-[(5-fluoro-1,3-thiazol-2-yl)amino]-3-oxopropyl]-N-propylpyrrolidine-1-carboxamide
CID 118268348
(2R)-N-(5-cyclopropyl-2-pyridinyl)-2-(4-cyclopropylsulfonylphenyl)-3-[(3S,4R)-3,4-difluorocyclopentyl]propanamide
CID 67435584
2-(4-cyclobutylsulfonylphenyl)-3-(oxan-4-yl)-N-pyrazin-2-ylpropanamide
CID 21093931
(2R)-2-(4-cyclopropylsulfonylphenyl)-3-[(3R,4S)-3,4-difluorocyclopentyl]-N-[5-[(4R)-2,2-dimethyl-1,3-dioxolan-4-yl]pyrazin-2-yl]propanamide
CID 67435046
(2R)-2-(4-cyclopropylsulfonylphenyl)-N-(5-methyl-1,3-thiazol-2-yl)-3-(oxan-4-yl)propanamide
CID 24906075
2-(4-cyclopropylsulfonylphenyl)-3-(3,4-difluorocyclopentyl)-N-(1-methylpyrazol-3-yl)propanamide
CID 67435318
(3R)-4-[(3S)-1-acetylpyrrolidin-3-yl]-3-(4-cyclopropylsulfonylphenyl)-1-(5-methoxy-1,3-thiazol-2-yl)butan-2-one
CID 158392917
(2R)-2-(4-cyclobutylsulfonylphenyl)-3-(oxan-4-yl)-N-(1,2-oxazol-3-yl)propanamide
CID 58860827
(2R)-N-(5-bromo-2-pyridinyl)-3-cyclopentyl-2-(4-methylsulfonylphenyl)propanamide
CID 67490264
2-(4-cyclopropylsulfonylphenyl)-3-[(3S,4R)-3,4-difluorocyclopentyl]-N-(1,3-thiazol-2-yl)propanamide
CID 25013433
3-cyclopentyl-N-[5-(1-hydroxy-2-iminoethyl)pyrazin-2-yl]-2-(4-methylsulfonylphenyl)propanamide
CID 87417676

Frequently Asked Questions

What is the IUPAC name of (3S)-3-[2-(4-cyclopropylsulfonylphenyl)-3-[(5-methylpyrazin-2-yl)amino]-3-oxopropyl]-N-methylpyrrolidine-1-carboxamide?
The IUPAC name of (3S)-3-[2-(4-cyclopropylsulfonylphenyl)-3-[(5-methylpyrazin-2-yl)amino]-3-oxopropyl]-N-methylpyrrolidine-1-carboxamide (CID 138556681) is (3S)-3-[2-(4-cyclopropylsulfonylphenyl)-3-[(5-methylpyrazin-2-yl)amino]-3-oxopropyl]-N-methylpyrrolidine-1-carboxamide.
What is the SMILES notation for (3S)-3-[2-(4-cyclopropylsulfonylphenyl)-3-[(5-methylpyrazin-2-yl)amino]-3-oxopropyl]-N-methylpyrrolidine-1-carboxamide?
The canonical SMILES for (3S)-3-[2-(4-cyclopropylsulfonylphenyl)-3-[(5-methylpyrazin-2-yl)amino]-3-oxopropyl]-N-methylpyrrolidine-1-carboxamide is CNC(=O)N1CC[C@H](CC(C(=O)Nc2cnc(C)cn2)c2ccc(S(=O)(=O)C3CC3)cc2)C1.
What is the InChIKey of (3S)-3-[2-(4-cyclopropylsulfonylphenyl)-3-[(5-methylpyrazin-2-yl)amino]-3-oxopropyl]-N-methylpyrrolidine-1-carboxamide?
The InChIKey is BIYBHQSTSIKUEK-QRIPLOBPSA-N. The full InChI is InChI=1S/C23H29N5O4S/c1-15-12-26-21(13-25-15)27-22(29)20(11-16-9-10-28(14-16)23(30)24-2)17-3-5-18(6-4-17)33(31,32)19-7-8-19/h3-6,12-13,16,19-20H,7-11,14H2,1-2H3,(H,24,30)(H,26,27,29)/t16-,20?/m1/s1.
What are the key properties of (3S)-3-[2-(4-cyclopropylsulfonylphenyl)-3-[(5-methylpyrazin-2-yl)amino]-3-oxopropyl]-N-methylpyrrolidine-1-carboxamide?
(3S)-3-[2-(4-cyclopropylsulfonylphenyl)-3-[(5-methylpyrazin-2-yl)amino]-3-oxopropyl]-N-methylpyrrolidine-1-carboxamide has a molecular weight of 471.58 g/mol, XLogP of 2.49, 7 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (3S)-3-[2-(4-cyclopropylsulfonylphenyl)-3-[(5-methylpyrazin-2-yl)amino]-3-oxopropyl]-N-methylpyrrolidine-1-carboxamide is sourced from PubChem (CID 138556681), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).