(2S)-2-[(4-acetamidophenyl)sulfonylamino]-N-(4-chloro-2,5-dimethoxyphenyl)propanamide

C19H22ClN3O6S — CID 55942705

IUPAC(2S)-2-[(4-acetamidophenyl)sulfonylamino]-N-(4-chloro-2,5-dimethoxyphenyl)propanamide
SMILESCOc1cc(NC(=O)[C@H](C)NS(=O)(=O)c2ccc(NC(C)=O)cc2)c(OC)cc1Cl
InChIInChI=1S/C19H22ClN3O6S/c1-11(19(25)22-16-10-17(28-3)15(20)9-18(16)29-4)23-30(26,27)14-7-5-13(6-8-14)21-12(2)24/h5-11,23H,1-4H3,(H,21,24)(H,22,25)/t11-/m0/s1
InChIKeyFQJDYVSVRUUDTC-NSHDSACASA-N
MW455.92 g/mol
LogP2.62
Rot. Bonds8

About (2S)-2-[(4-acetamidophenyl)sulfonylamino]-N-(4-chloro-2,5-dimethoxyphenyl)propanamide

(2S)-2-[(4-acetamidophenyl)sulfonylamino]-N-(4-chloro-2,5-dimethoxyphenyl)propanamide (PubChem CID 55942705) has the molecular formula C19H22ClN3O6S and a molecular weight of 455.92 g/mol. Its IUPAC name is (2S)-2-[(4-acetamidophenyl)sulfonylamino]-N-(4-chloro-2,5-dimethoxyphenyl)propanamide.

Molecular Properties

Compound Name(2S)-2-[(4-acetamidophenyl)sulfonylamino]-N-(4-chloro-2,5-dimethoxyphenyl)propanamide
PubChem CID55942705
Molecular FormulaC19H22ClN3O6S
Molecular Weight455.92 g/mol
Exact Mass455.09
IUPAC Name(2S)-2-[(4-acetamidophenyl)sulfonylamino]-N-(4-chloro-2,5-dimethoxyphenyl)propanamide
SMILESCOc1cc(NC(=O)[C@H](C)NS(=O)(=O)c2ccc(NC(C)=O)cc2)c(OC)cc1Cl
InChIInChI=1S/C19H22ClN3O6S/c1-11(19(25)22-16-10-17(28-3)15(20)9-18(16)29-4)23-30(26,27)14-7-5-13(6-8-14)21-12(2)24/h5-11,23H,1-4H3,(H,21,24)(H,22,25)/t11-/m0/s1
InChIKeyFQJDYVSVRUUDTC-NSHDSACASA-N
XLogP2.62
TPSA122.83 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500455.92
LogP ≤ 52.62
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

Analyze (2S)-2-[(4-acetamidophenyl)sulfonylamino]-N-(4-chloro-2,5-dimethoxyphenyl)propanamide with MolForge

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Related Compounds

methyl 5-[[(2S)-2-[(4-acetamidophenyl)sulfonylamino]propanoyl]amino]-2-chlorobenzoate
CID 34159763
N-[4-[(4-chloro-2,5-dimethoxyphenyl)carbamoylamino]phenyl]acetamide
CID 108992307
(2S)-N-(4-acetamidophenyl)-2-[(4-chlorophenyl)sulfonylamino]propanamide
CID 2100165
(2R)-N-(4-acetamidophenyl)-2-(5-chloro-2,4-dimethoxyanilino)propanamide
CID 7831164
(2S)-2-[(4-acetamidophenyl)sulfonylamino]-N-(2-butoxy-5-methoxyphenyl)propanamide
CID 39471769
(2R)-2-[(4-chlorophenyl)sulfonylamino]-N-(2,5-dimethoxyphenyl)propanamide
CID 7318747
2-[(3-chloro-4-methoxyphenyl)sulfonylamino]-N-(2-chlorophenyl)propanamide
CID 3885405
(2S)-2-[(4-acetamidophenyl)sulfonylamino]-N-[(3,4,5-trimethoxyphenyl)methyl]propanamide
CID 41261269
2-(5-chloro-2,4-dimethoxyanilino)-N-(4-sulfamoylphenyl)propanamide
CID 4787331
(2R)-2-[(4-bromophenyl)sulfonylamino]-N-(5-chloro-2-methoxyphenyl)propanamide
CID 1254747
(2S)-2-(5-chloro-2,4-dimethoxyanilino)-N-(4-sulfamoylphenyl)propanamide
CID 8008354
(2S)-2-[(3-chloro-4-methoxyphenyl)sulfonylamino]-N-(3-chloro-4-methylphenyl)propanamide
CID 124551909

Frequently Asked Questions

What is the IUPAC name of (2S)-2-[(4-acetamidophenyl)sulfonylamino]-N-(4-chloro-2,5-dimethoxyphenyl)propanamide?
The IUPAC name of (2S)-2-[(4-acetamidophenyl)sulfonylamino]-N-(4-chloro-2,5-dimethoxyphenyl)propanamide (CID 55942705) is (2S)-2-[(4-acetamidophenyl)sulfonylamino]-N-(4-chloro-2,5-dimethoxyphenyl)propanamide.
What is the SMILES notation for (2S)-2-[(4-acetamidophenyl)sulfonylamino]-N-(4-chloro-2,5-dimethoxyphenyl)propanamide?
The canonical SMILES for (2S)-2-[(4-acetamidophenyl)sulfonylamino]-N-(4-chloro-2,5-dimethoxyphenyl)propanamide is COc1cc(NC(=O)[C@H](C)NS(=O)(=O)c2ccc(NC(C)=O)cc2)c(OC)cc1Cl.
What is the InChIKey of (2S)-2-[(4-acetamidophenyl)sulfonylamino]-N-(4-chloro-2,5-dimethoxyphenyl)propanamide?
The InChIKey is FQJDYVSVRUUDTC-NSHDSACASA-N. The full InChI is InChI=1S/C19H22ClN3O6S/c1-11(19(25)22-16-10-17(28-3)15(20)9-18(16)29-4)23-30(26,27)14-7-5-13(6-8-14)21-12(2)24/h5-11,23H,1-4H3,(H,21,24)(H,22,25)/t11-/m0/s1.
What are the key properties of (2S)-2-[(4-acetamidophenyl)sulfonylamino]-N-(4-chloro-2,5-dimethoxyphenyl)propanamide?
(2S)-2-[(4-acetamidophenyl)sulfonylamino]-N-(4-chloro-2,5-dimethoxyphenyl)propanamide has a molecular weight of 455.92 g/mol, XLogP of 2.62, 8 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-[(4-acetamidophenyl)sulfonylamino]-N-(4-chloro-2,5-dimethoxyphenyl)propanamide is sourced from PubChem (CID 55942705), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).