(2R)-N-(4-methyl-3-morpholin-4-ylsulfonylphenyl)-2-[4-(2-oxopyrrolidin-1-yl)anilino]propanamide

C24H30N4O5S — CID 41236594

IUPAC(2R)-N-(4-methyl-3-morpholin-4-ylsulfonylphenyl)-2-[4-(2-oxopyrrolidin-1-yl)anilino]propanamide
SMILESCc1ccc(NC(=O)[C@@H](C)Nc2ccc(N3CCCC3=O)cc2)cc1S(=O)(=O)N1CCOCC1
InChIInChI=1S/C24H30N4O5S/c1-17-5-6-20(16-22(17)34(31,32)27-12-14-33-15-13-27)26-24(30)18(2)25-19-7-9-21(10-8-19)28-11-3-4-23(28)29/h5-10,16,18,25H,3-4,11-15H2,1-2H3,(H,26,30)/t18-/m1/s1
InChIKeyZEMNFEDPLZYXSI-GOSISDBHSA-N
MW486.59 g/mol
LogP2.58
Rot. Bonds7

About (2R)-N-(4-methyl-3-morpholin-4-ylsulfonylphenyl)-2-[4-(2-oxopyrrolidin-1-yl)anilino]propanamide

(2R)-N-(4-methyl-3-morpholin-4-ylsulfonylphenyl)-2-[4-(2-oxopyrrolidin-1-yl)anilino]propanamide (PubChem CID 41236594) has the molecular formula C24H30N4O5S and a molecular weight of 486.59 g/mol. Its IUPAC name is (2R)-N-(4-methyl-3-morpholin-4-ylsulfonylphenyl)-2-[4-(2-oxopyrrolidin-1-yl)anilino]propanamide.

Molecular Properties

Compound Name(2R)-N-(4-methyl-3-morpholin-4-ylsulfonylphenyl)-2-[4-(2-oxopyrrolidin-1-yl)anilino]propanamide
PubChem CID41236594
Molecular FormulaC24H30N4O5S
Molecular Weight486.59 g/mol
Exact Mass486.19
IUPAC Name(2R)-N-(4-methyl-3-morpholin-4-ylsulfonylphenyl)-2-[4-(2-oxopyrrolidin-1-yl)anilino]propanamide
SMILESCc1ccc(NC(=O)[C@@H](C)Nc2ccc(N3CCCC3=O)cc2)cc1S(=O)(=O)N1CCOCC1
InChIInChI=1S/C24H30N4O5S/c1-17-5-6-20(16-22(17)34(31,32)27-12-14-33-15-13-27)26-24(30)18(2)25-19-7-9-21(10-8-19)28-11-3-4-23(28)29/h5-10,16,18,25H,3-4,11-15H2,1-2H3,(H,26,30)/t18-/m1/s1
InChIKeyZEMNFEDPLZYXSI-GOSISDBHSA-N
XLogP2.58
TPSA108.05 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500486.59
LogP ≤ 52.58
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

N-(4-methyl-3-morpholin-4-ylsulfonylphenyl)-4-(2-oxopyrrolidin-1-yl)benzamide
CID 25434729
(2R)-2-[(2-methyl-1,3-benzoxazol-5-yl)amino]-N-(4-methyl-3-morpholin-4-ylsulfonylphenyl)propanamide
CID 31922526
N-[3-(azepan-1-ylsulfonyl)-4-methylphenyl]-4-(2-oxopyrrolidin-1-yl)benzamide
CID 3541229
(2R)-N-(2,5-dimethylphenyl)-2-[4-(2-oxopyrrolidin-1-yl)anilino]propanamide
CID 25376489
(2S)-N-(3-chlorophenyl)-2-[4-(2-oxopyrrolidin-1-yl)anilino]propanamide
CID 8967271
(2R)-N-(2-methylphenyl)-2-[4-(2-oxopyrrolidin-1-yl)anilino]propanamide
CID 25328467
(2R)-2-acetamido-3-methyl-N-(4-methyl-3-morpholin-4-ylsulfonylphenyl)butanamide
CID 9243660
(2S)-2-(3,4-dihydro-2H-quinolin-1-yl)-N-(4-methyl-3-morpholin-4-ylsulfonylphenyl)propanamide
CID 41000946
4-[[(2R)-2-[4-(2-oxopyrrolidin-1-yl)anilino]propanoyl]amino]benzamide
CID 8967594
(2R)-2-[4-(2-oxopyrrolidin-1-yl)anilino]-N-[4-(trifluoromethyl)phenyl]propanamide
CID 8967599
N-(4-methoxyphenyl)-2-[4-(2-oxopyrrolidin-1-yl)anilino]propanamide
CID 17494587
4-(3,6-dioxodiazinan-1-yl)-N-(4-methyl-3-morpholin-4-ylsulfonylphenyl)benzamide
CID 47074202

Frequently Asked Questions

What is the IUPAC name of (2R)-N-(4-methyl-3-morpholin-4-ylsulfonylphenyl)-2-[4-(2-oxopyrrolidin-1-yl)anilino]propanamide?
The IUPAC name of (2R)-N-(4-methyl-3-morpholin-4-ylsulfonylphenyl)-2-[4-(2-oxopyrrolidin-1-yl)anilino]propanamide (CID 41236594) is (2R)-N-(4-methyl-3-morpholin-4-ylsulfonylphenyl)-2-[4-(2-oxopyrrolidin-1-yl)anilino]propanamide.
What is the SMILES notation for (2R)-N-(4-methyl-3-morpholin-4-ylsulfonylphenyl)-2-[4-(2-oxopyrrolidin-1-yl)anilino]propanamide?
The canonical SMILES for (2R)-N-(4-methyl-3-morpholin-4-ylsulfonylphenyl)-2-[4-(2-oxopyrrolidin-1-yl)anilino]propanamide is Cc1ccc(NC(=O)[C@@H](C)Nc2ccc(N3CCCC3=O)cc2)cc1S(=O)(=O)N1CCOCC1.
What is the InChIKey of (2R)-N-(4-methyl-3-morpholin-4-ylsulfonylphenyl)-2-[4-(2-oxopyrrolidin-1-yl)anilino]propanamide?
The InChIKey is ZEMNFEDPLZYXSI-GOSISDBHSA-N. The full InChI is InChI=1S/C24H30N4O5S/c1-17-5-6-20(16-22(17)34(31,32)27-12-14-33-15-13-27)26-24(30)18(2)25-19-7-9-21(10-8-19)28-11-3-4-23(28)29/h5-10,16,18,25H,3-4,11-15H2,1-2H3,(H,26,30)/t18-/m1/s1.
What are the key properties of (2R)-N-(4-methyl-3-morpholin-4-ylsulfonylphenyl)-2-[4-(2-oxopyrrolidin-1-yl)anilino]propanamide?
(2R)-N-(4-methyl-3-morpholin-4-ylsulfonylphenyl)-2-[4-(2-oxopyrrolidin-1-yl)anilino]propanamide has a molecular weight of 486.59 g/mol, XLogP of 2.58, 7 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-N-(4-methyl-3-morpholin-4-ylsulfonylphenyl)-2-[4-(2-oxopyrrolidin-1-yl)anilino]propanamide is sourced from PubChem (CID 41236594), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).