N-[4-[[(2S)-1-acetyl-2-methyl-2,3-dihydroindol-5-yl]sulfonylamino]phenyl]acetamide

C19H21N3O4S — CID 28737727

IUPACN-[4-[[(2S)-1-acetyl-2-methyl-2,3-dihydroindol-5-yl]sulfonylamino]phenyl]acetamide
SMILESCC(=O)Nc1ccc(NS(=O)(=O)c2ccc3c(c2)C[C@H](C)N3C(C)=O)cc1
InChIInChI=1S/C19H21N3O4S/c1-12-10-15-11-18(8-9-19(15)22(12)14(3)24)27(25,26)21-17-6-4-16(5-7-17)20-13(2)23/h4-9,11-12,21H,10H2,1-3H3,(H,20,23)/t12-/m0/s1
InChIKeyTUODNWZCCNGCSB-LBPRGKRZSA-N
MW387.46 g/mol
LogP2.74
Rot. Bonds4

About N-[4-[[(2S)-1-acetyl-2-methyl-2,3-dihydroindol-5-yl]sulfonylamino]phenyl]acetamide

N-[4-[[(2S)-1-acetyl-2-methyl-2,3-dihydroindol-5-yl]sulfonylamino]phenyl]acetamide (PubChem CID 28737727) has the molecular formula C19H21N3O4S and a molecular weight of 387.46 g/mol. Its IUPAC name is N-[4-[[(2S)-1-acetyl-2-methyl-2,3-dihydroindol-5-yl]sulfonylamino]phenyl]acetamide.

Molecular Properties

Compound NameN-[4-[[(2S)-1-acetyl-2-methyl-2,3-dihydroindol-5-yl]sulfonylamino]phenyl]acetamide
PubChem CID28737727
Molecular FormulaC19H21N3O4S
Molecular Weight387.46 g/mol
Exact Mass387.13
IUPAC NameN-[4-[[(2S)-1-acetyl-2-methyl-2,3-dihydroindol-5-yl]sulfonylamino]phenyl]acetamide
SMILESCC(=O)Nc1ccc(NS(=O)(=O)c2ccc3c(c2)C[C@H](C)N3C(C)=O)cc1
InChIInChI=1S/C19H21N3O4S/c1-12-10-15-11-18(8-9-19(15)22(12)14(3)24)27(25,26)21-17-6-4-16(5-7-17)20-13(2)23/h4-9,11-12,21H,10H2,1-3H3,(H,20,23)/t12-/m0/s1
InChIKeyTUODNWZCCNGCSB-LBPRGKRZSA-N
XLogP2.74
TPSA95.58 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500387.46
LogP ≤ 52.74
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

(2S)-1-acetyl-N-(3,4-dimethylphenyl)-2-methyl-2,3-dihydroindole-5-sulfonamide
CID 40637750
(2R)-1-acetyl-N-(3,4-dimethylphenyl)-2-methyl-2,3-dihydroindole-5-sulfonamide
CID 40637751
1-acetyl-2-methyl-N-[4-(propylsulfamoyl)phenyl]-2,3-dihydroindole-5-sulfonamide
CID 43053461
1-acetyl-N-(3,5-difluorophenyl)-2-methyl-2,3-dihydroindole-5-sulfonamide
CID 51299300
ethyl 4-[[(2S)-1-acetyl-2-methyl-2,3-dihydroindol-5-yl]sulfonylamino]benzoate
CID 40653874
dimethyl 5-[(1-acetyl-2-methyl-2,3-dihydroindol-5-yl)sulfonylamino]benzene-1,3-dicarboxylate
CID 131842012
N-[3-[(1-acetyl-2-methyl-2,3-dihydroindol-5-yl)sulfonylamino]phenyl]cyclopropanecarboxamide
CID 43055164
3-[(1-acetyl-2-methyl-2,3-dihydroindol-5-yl)sulfonylamino]-N-(4-acetylphenyl)propanamide
CID 46274810
1-acetyl-2-iodo-N-phenyl-2,3-dihydroindole-5-sulfonamide
CID 89426561
(2S)-1-acetyl-N-(cyclooctylmethyl)-2-methyl-2,3-dihydroindole-5-sulfonamide
CID 97024862
1-acetyl-2-methyl-N-[4-([1,3]thiazolo[5,4-b]pyridin-2-yl)phenyl]-2,3-dihydroindole-5-sulfonamide
CID 121025102
(2R)-1-acetyl-N-benzyl-2-methyl-2,3-dihydroindole-5-sulfonamide
CID 41098800

Frequently Asked Questions

What is the IUPAC name of N-[4-[[(2S)-1-acetyl-2-methyl-2,3-dihydroindol-5-yl]sulfonylamino]phenyl]acetamide?
The IUPAC name of N-[4-[[(2S)-1-acetyl-2-methyl-2,3-dihydroindol-5-yl]sulfonylamino]phenyl]acetamide (CID 28737727) is N-[4-[[(2S)-1-acetyl-2-methyl-2,3-dihydroindol-5-yl]sulfonylamino]phenyl]acetamide.
What is the SMILES notation for N-[4-[[(2S)-1-acetyl-2-methyl-2,3-dihydroindol-5-yl]sulfonylamino]phenyl]acetamide?
The canonical SMILES for N-[4-[[(2S)-1-acetyl-2-methyl-2,3-dihydroindol-5-yl]sulfonylamino]phenyl]acetamide is CC(=O)Nc1ccc(NS(=O)(=O)c2ccc3c(c2)C[C@H](C)N3C(C)=O)cc1.
What is the InChIKey of N-[4-[[(2S)-1-acetyl-2-methyl-2,3-dihydroindol-5-yl]sulfonylamino]phenyl]acetamide?
The InChIKey is TUODNWZCCNGCSB-LBPRGKRZSA-N. The full InChI is InChI=1S/C19H21N3O4S/c1-12-10-15-11-18(8-9-19(15)22(12)14(3)24)27(25,26)21-17-6-4-16(5-7-17)20-13(2)23/h4-9,11-12,21H,10H2,1-3H3,(H,20,23)/t12-/m0/s1.
What are the key properties of N-[4-[[(2S)-1-acetyl-2-methyl-2,3-dihydroindol-5-yl]sulfonylamino]phenyl]acetamide?
N-[4-[[(2S)-1-acetyl-2-methyl-2,3-dihydroindol-5-yl]sulfonylamino]phenyl]acetamide has a molecular weight of 387.46 g/mol, XLogP of 2.74, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-[[(2S)-1-acetyl-2-methyl-2,3-dihydroindol-5-yl]sulfonylamino]phenyl]acetamide is sourced from PubChem (CID 28737727), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).