2-[methyl-[[(3S)-3-methyl-2-oxo-1,3-dihydroindol-5-yl]sulfonyl]amino]-N-(4-methylphenyl)acetamide

C19H21N3O4S — CID 9187509

IUPAC2-[methyl-[[(3S)-3-methyl-2-oxo-1,3-dihydroindol-5-yl]sulfonyl]amino]-N-(4-methylphenyl)acetamide
SMILESCc1ccc(NC(=O)CN(C)S(=O)(=O)c2ccc3c(c2)[C@H](C)C(=O)N3)cc1
InChIInChI=1S/C19H21N3O4S/c1-12-4-6-14(7-5-12)20-18(23)11-22(3)27(25,26)15-8-9-17-16(10-15)13(2)19(24)21-17/h4-10,13H,11H2,1-3H3,(H,20,23)(H,21,24)/t13-/m0/s1
InChIKeyZOGXPSPGVQRPOD-ZDUSSCGKSA-N
MW387.46 g/mol
LogP2.31
Rot. Bonds5

About 2-[methyl-[[(3S)-3-methyl-2-oxo-1,3-dihydroindol-5-yl]sulfonyl]amino]-N-(4-methylphenyl)acetamide

2-[methyl-[[(3S)-3-methyl-2-oxo-1,3-dihydroindol-5-yl]sulfonyl]amino]-N-(4-methylphenyl)acetamide (PubChem CID 9187509) has the molecular formula C19H21N3O4S and a molecular weight of 387.46 g/mol. Its IUPAC name is 2-[methyl-[[(3S)-3-methyl-2-oxo-1,3-dihydroindol-5-yl]sulfonyl]amino]-N-(4-methylphenyl)acetamide.

Molecular Properties

Compound Name2-[methyl-[[(3S)-3-methyl-2-oxo-1,3-dihydroindol-5-yl]sulfonyl]amino]-N-(4-methylphenyl)acetamide
PubChem CID9187509
Molecular FormulaC19H21N3O4S
Molecular Weight387.46 g/mol
Exact Mass387.13
IUPAC Name2-[methyl-[[(3S)-3-methyl-2-oxo-1,3-dihydroindol-5-yl]sulfonyl]amino]-N-(4-methylphenyl)acetamide
SMILESCc1ccc(NC(=O)CN(C)S(=O)(=O)c2ccc3c(c2)[C@H](C)C(=O)N3)cc1
InChIInChI=1S/C19H21N3O4S/c1-12-4-6-14(7-5-12)20-18(23)11-22(3)27(25,26)15-8-9-17-16(10-15)13(2)19(24)21-17/h4-10,13H,11H2,1-3H3,(H,20,23)(H,21,24)/t13-/m0/s1
InChIKeyZOGXPSPGVQRPOD-ZDUSSCGKSA-N
XLogP2.31
TPSA95.58 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500387.46
LogP ≤ 52.31
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-(3-methoxyphenyl)-2-[methyl-[[(3R)-3-methyl-2-oxo-1,3-dihydroindol-5-yl]sulfonyl]amino]acetamide
CID 9188603
2-[ethyl-[[(3S)-3-methyl-2-oxo-1,3-dihydroindol-5-yl]sulfonyl]amino]-N-(4-methoxyphenyl)acetamide
CID 9188307
N,N-diethyl-2-[methyl-[[(3R)-3-methyl-2-oxo-1,3-dihydroindol-5-yl]sulfonyl]amino]acetamide
CID 9188873
2-[methyl-(4-methylphenyl)sulfonylamino]-N-phenylacetamide
CID 2178261
2-[(4-ethylphenyl)sulfonyl-methylamino]-N-(4-methylphenyl)acetamide
CID 40735304
(3S)-N,3-dimethyl-N-[(2-methylphenyl)methyl]-2-oxo-1,3-dihydroindole-5-sulfonamide
CID 9187654
N-(3-acetamidophenyl)-2-[methyl-(4-methylphenyl)sulfonylamino]acetamide
CID 27055361
(3S)-N,3-dimethyl-N-[(4-methylsulfanylphenyl)methyl]-2-oxo-1,3-dihydroindole-5-sulfonamide
CID 9188617
(3R)-N-[(2-chlorophenyl)methyl]-N,3-dimethyl-2-oxo-1,3-dihydroindole-5-sulfonamide
CID 9188492
N-[3-[[2-[methyl-(4-methylphenyl)sulfonylamino]acetyl]amino]phenyl]propanamide
CID 38024472
2-[methyl-(4-methylphenyl)sulfonylamino]-N-[4-(trifluoromethoxy)phenyl]acetamide
CID 7957178
N-(4-cyclopentylsulfanylphenyl)-2-[methyl-(4-methylphenyl)sulfonylamino]acetamide
CID 37400572

Frequently Asked Questions

What is the IUPAC name of 2-[methyl-[[(3S)-3-methyl-2-oxo-1,3-dihydroindol-5-yl]sulfonyl]amino]-N-(4-methylphenyl)acetamide?
The IUPAC name of 2-[methyl-[[(3S)-3-methyl-2-oxo-1,3-dihydroindol-5-yl]sulfonyl]amino]-N-(4-methylphenyl)acetamide (CID 9187509) is 2-[methyl-[[(3S)-3-methyl-2-oxo-1,3-dihydroindol-5-yl]sulfonyl]amino]-N-(4-methylphenyl)acetamide.
What is the SMILES notation for 2-[methyl-[[(3S)-3-methyl-2-oxo-1,3-dihydroindol-5-yl]sulfonyl]amino]-N-(4-methylphenyl)acetamide?
The canonical SMILES for 2-[methyl-[[(3S)-3-methyl-2-oxo-1,3-dihydroindol-5-yl]sulfonyl]amino]-N-(4-methylphenyl)acetamide is Cc1ccc(NC(=O)CN(C)S(=O)(=O)c2ccc3c(c2)[C@H](C)C(=O)N3)cc1.
What is the InChIKey of 2-[methyl-[[(3S)-3-methyl-2-oxo-1,3-dihydroindol-5-yl]sulfonyl]amino]-N-(4-methylphenyl)acetamide?
The InChIKey is ZOGXPSPGVQRPOD-ZDUSSCGKSA-N. The full InChI is InChI=1S/C19H21N3O4S/c1-12-4-6-14(7-5-12)20-18(23)11-22(3)27(25,26)15-8-9-17-16(10-15)13(2)19(24)21-17/h4-10,13H,11H2,1-3H3,(H,20,23)(H,21,24)/t13-/m0/s1.
What are the key properties of 2-[methyl-[[(3S)-3-methyl-2-oxo-1,3-dihydroindol-5-yl]sulfonyl]amino]-N-(4-methylphenyl)acetamide?
2-[methyl-[[(3S)-3-methyl-2-oxo-1,3-dihydroindol-5-yl]sulfonyl]amino]-N-(4-methylphenyl)acetamide has a molecular weight of 387.46 g/mol, XLogP of 2.31, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[methyl-[[(3S)-3-methyl-2-oxo-1,3-dihydroindol-5-yl]sulfonyl]amino]-N-(4-methylphenyl)acetamide is sourced from PubChem (CID 9187509), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).