(2S)-3-(4-chlorophenyl)-2-[(4-methoxy-2,3,6-trimethylphenyl)sulfonylamino]-N-[2-(4-methylpiperazin-1-yl)ethyl]propanamide

C26H37ClN4O4S — CID 54580270

IUPAC(2S)-3-(4-chlorophenyl)-2-[(4-methoxy-2,3,6-trimethylphenyl)sulfonylamino]-N-[2-(4-methylpiperazin-1-yl)ethyl]propanamide
SMILESCOc1cc(C)c(S(=O)(=O)N[C@@H](Cc2ccc(Cl)cc2)C(=O)NCCN2CCN(C)CC2)c(C)c1C
InChIInChI=1S/C26H37ClN4O4S/c1-18-16-24(35-5)19(2)20(3)25(18)36(33,34)29-23(17-21-6-8-22(27)9-7-21)26(32)28-10-11-31-14-12-30(4)13-15-31/h6-9,16,23,29H,10-15,17H2,1-5H3,(H,28,32)/t23-/m0/s1
InChIKeyXCXWHGKZDDCOMC-QHCPKHFHSA-N
MW537.13 g/mol
LogP2.53
Rot. Bonds10

About (2S)-3-(4-chlorophenyl)-2-[(4-methoxy-2,3,6-trimethylphenyl)sulfonylamino]-N-[2-(4-methylpiperazin-1-yl)ethyl]propanamide

(2S)-3-(4-chlorophenyl)-2-[(4-methoxy-2,3,6-trimethylphenyl)sulfonylamino]-N-[2-(4-methylpiperazin-1-yl)ethyl]propanamide (PubChem CID 54580270) has the molecular formula C26H37ClN4O4S and a molecular weight of 537.13 g/mol. Its IUPAC name is (2S)-3-(4-chlorophenyl)-2-[(4-methoxy-2,3,6-trimethylphenyl)sulfonylamino]-N-[2-(4-methylpiperazin-1-yl)ethyl]propanamide.

Molecular Properties

Compound Name(2S)-3-(4-chlorophenyl)-2-[(4-methoxy-2,3,6-trimethylphenyl)sulfonylamino]-N-[2-(4-methylpiperazin-1-yl)ethyl]propanamide
PubChem CID54580270
Molecular FormulaC26H37ClN4O4S
Molecular Weight537.13 g/mol
Exact Mass536.22
IUPAC Name(2S)-3-(4-chlorophenyl)-2-[(4-methoxy-2,3,6-trimethylphenyl)sulfonylamino]-N-[2-(4-methylpiperazin-1-yl)ethyl]propanamide
SMILESCOc1cc(C)c(S(=O)(=O)N[C@@H](Cc2ccc(Cl)cc2)C(=O)NCCN2CCN(C)CC2)c(C)c1C
InChIInChI=1S/C26H37ClN4O4S/c1-18-16-24(35-5)19(2)20(3)25(18)36(33,34)29-23(17-21-6-8-22(27)9-7-21)26(32)28-10-11-31-14-12-30(4)13-15-31/h6-9,16,23,29H,10-15,17H2,1-5H3,(H,28,32)/t23-/m0/s1
InChIKeyXCXWHGKZDDCOMC-QHCPKHFHSA-N
XLogP2.53
TPSA90.98 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds10
Heavy Atoms36
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500537.13
LogP ≤ 52.53
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Analyze (2S)-3-(4-chlorophenyl)-2-[(4-methoxy-2,3,6-trimethylphenyl)sulfonylamino]-N-[2-(4-methylpiperazin-1-yl)ethyl]propanamide 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

(2R)-N-benzyl-3-(4-chlorophenyl)-2-[(4-methoxy-2,3,6-trimethylphenyl)sulfonylamino]-N-[3-(4-methylpiperazin-1-yl)propyl]propanamide
CID 54581243
(2S)-2-[(4-methoxy-2,3,6-trimethylphenyl)sulfonylamino]-N-[3-(4-methylpiperidin-1-yl)propyl]-3-phenylpropanamide
CID 54582853
N-[4-(3,4-dihydro-1H-isoquinolin-2-yl)butyl]-4-methoxy-2,3,6-trimethylbenzenesulfonamide;hydrochloride
CID 21092277
(2S)-2-[(5-chloro-2-methoxyphenyl)sulfonylamino]-N-(2-methoxyethyl)-3-phenylpropanamide
CID 28542438
diethyl 2-[(4-methoxy-2,3,6-trimethylphenyl)sulfonylamino]propanedioate
CID 3860519
(2R)-N-(4-chlorophenyl)-3-phenyl-2-[(2,4,6-trimethylphenyl)sulfonylamino]propanamide
CID 28537449
(2S)-2-[(5-chloro-2-methoxyphenyl)sulfonylamino]-N-[(3,4-dimethoxyphenyl)methyl]-3-phenylpropanamide
CID 28543096
2-[(4-methoxy-3-methylphenyl)sulfonylamino]-N-[4-(4-methylpiperazin-1-yl)sulfonylphenyl]-3-phenylpropanamide
CID 132693774
3-[2-[(4-methoxy-2,3,6-trimethylphenyl)sulfonylamino]-3-(4-methylpiperidin-1-yl)-3-oxopropyl]benzenecarboximidamide
CID 4713358
N'-[(4-chlorophenyl)methyl]-N-[2-[4-(2-methoxyphenyl)piperazin-1-yl]ethyl]oxamide
CID 42268780
(2R)-N-(3-methoxypropyl)-3-phenyl-2-[(2,4,6-trimethylphenyl)sulfonylamino]propanamide
CID 92646042
1-(3-chloro-6-methoxy-2,4-dimethylphenyl)-2-(4-methylpiperazin-1-yl)ethanone
CID 93193413

Frequently Asked Questions

What is the IUPAC name of (2S)-3-(4-chlorophenyl)-2-[(4-methoxy-2,3,6-trimethylphenyl)sulfonylamino]-N-[2-(4-methylpiperazin-1-yl)ethyl]propanamide?
The IUPAC name of (2S)-3-(4-chlorophenyl)-2-[(4-methoxy-2,3,6-trimethylphenyl)sulfonylamino]-N-[2-(4-methylpiperazin-1-yl)ethyl]propanamide (CID 54580270) is (2S)-3-(4-chlorophenyl)-2-[(4-methoxy-2,3,6-trimethylphenyl)sulfonylamino]-N-[2-(4-methylpiperazin-1-yl)ethyl]propanamide.
What is the SMILES notation for (2S)-3-(4-chlorophenyl)-2-[(4-methoxy-2,3,6-trimethylphenyl)sulfonylamino]-N-[2-(4-methylpiperazin-1-yl)ethyl]propanamide?
The canonical SMILES for (2S)-3-(4-chlorophenyl)-2-[(4-methoxy-2,3,6-trimethylphenyl)sulfonylamino]-N-[2-(4-methylpiperazin-1-yl)ethyl]propanamide is COc1cc(C)c(S(=O)(=O)N[C@@H](Cc2ccc(Cl)cc2)C(=O)NCCN2CCN(C)CC2)c(C)c1C.
What is the InChIKey of (2S)-3-(4-chlorophenyl)-2-[(4-methoxy-2,3,6-trimethylphenyl)sulfonylamino]-N-[2-(4-methylpiperazin-1-yl)ethyl]propanamide?
The InChIKey is XCXWHGKZDDCOMC-QHCPKHFHSA-N. The full InChI is InChI=1S/C26H37ClN4O4S/c1-18-16-24(35-5)19(2)20(3)25(18)36(33,34)29-23(17-21-6-8-22(27)9-7-21)26(32)28-10-11-31-14-12-30(4)13-15-31/h6-9,16,23,29H,10-15,17H2,1-5H3,(H,28,32)/t23-/m0/s1.
What are the key properties of (2S)-3-(4-chlorophenyl)-2-[(4-methoxy-2,3,6-trimethylphenyl)sulfonylamino]-N-[2-(4-methylpiperazin-1-yl)ethyl]propanamide?
(2S)-3-(4-chlorophenyl)-2-[(4-methoxy-2,3,6-trimethylphenyl)sulfonylamino]-N-[2-(4-methylpiperazin-1-yl)ethyl]propanamide has a molecular weight of 537.13 g/mol, XLogP of 2.53, 10 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-3-(4-chlorophenyl)-2-[(4-methoxy-2,3,6-trimethylphenyl)sulfonylamino]-N-[2-(4-methylpiperazin-1-yl)ethyl]propanamide is sourced from PubChem (CID 54580270), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).