1-[(2S)-1-(2,3-dihydroindol-1-yl)-1-oxopropan-2-yl]-3-(4-methylphenyl)sulfonylurea

C19H21N3O4S — CID 110348145

IUPAC1-[(2S)-1-(2,3-dihydroindol-1-yl)-1-oxopropan-2-yl]-3-(4-methylphenyl)sulfonylurea
SMILESCc1ccc(S(=O)(=O)NC(=O)N[C@@H](C)C(=O)N2CCc3ccccc32)cc1
InChIInChI=1S/C19H21N3O4S/c1-13-7-9-16(10-8-13)27(25,26)21-19(24)20-14(2)18(23)22-12-11-15-5-3-4-6-17(15)22/h3-10,14H,11-12H2,1-2H3,(H2,20,21,24)/t14-/m0/s1
InChIKeyNWNDDIHVBQLBTA-AWEZNQCLSA-N
MW387.46 g/mol
LogP1.96
Rot. Bonds4

About 1-[(2S)-1-(2,3-dihydroindol-1-yl)-1-oxopropan-2-yl]-3-(4-methylphenyl)sulfonylurea

1-[(2S)-1-(2,3-dihydroindol-1-yl)-1-oxopropan-2-yl]-3-(4-methylphenyl)sulfonylurea (PubChem CID 110348145) has the molecular formula C19H21N3O4S and a molecular weight of 387.46 g/mol. Its IUPAC name is 1-[(2S)-1-(2,3-dihydroindol-1-yl)-1-oxopropan-2-yl]-3-(4-methylphenyl)sulfonylurea.

Molecular Properties

Compound Name1-[(2S)-1-(2,3-dihydroindol-1-yl)-1-oxopropan-2-yl]-3-(4-methylphenyl)sulfonylurea
PubChem CID110348145
Molecular FormulaC19H21N3O4S
Molecular Weight387.46 g/mol
Exact Mass387.13
IUPAC Name1-[(2S)-1-(2,3-dihydroindol-1-yl)-1-oxopropan-2-yl]-3-(4-methylphenyl)sulfonylurea
SMILESCc1ccc(S(=O)(=O)NC(=O)N[C@@H](C)C(=O)N2CCc3ccccc32)cc1
InChIInChI=1S/C19H21N3O4S/c1-13-7-9-16(10-8-13)27(25,26)21-19(24)20-14(2)18(23)22-12-11-15-5-3-4-6-17(15)22/h3-10,14H,11-12H2,1-2H3,(H2,20,21,24)/t14-/m0/s1
InChIKeyNWNDDIHVBQLBTA-AWEZNQCLSA-N
XLogP1.96
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 ≤ 51.96
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

1-[1-(2,3-dihydroindol-1-yl)-1-oxopropan-2-yl]-3-methylurea
CID 46383472
1-[(2S)-1-(2,3-dihydroindol-1-yl)-1-oxopropan-2-yl]-3-(2,4-dimethylphenyl)urea
CID 92881495
1-[1-(2,3-dihydroindol-1-yl)-1-oxopropan-2-yl]-3-ethylurea
CID 46383476
1-[(2R)-1-(2,3-dihydroindol-1-yl)-1-oxopropan-2-yl]-3-(2-methylphenyl)urea
CID 92881468
1-[(2S)-1-(2,3-dihydroindol-1-yl)-1-oxopropan-2-yl]-3-(2-methylpropyl)urea
CID 92881544
N-[(2S)-1-(2,3-dihydroindol-1-yl)-1-oxopropan-2-yl]-2,4-dimethylbenzenesulfonamide
CID 110348158
1-[1-(2,3-dihydroindol-1-yl)-1-oxopropan-2-yl]-3-(2,3-dimethylphenyl)urea
CID 46383423
ethyl N-[(2S)-1-(2,3-dihydroindol-1-yl)-1-oxopropan-2-yl]carbamate
CID 110348137
1-[2-(3,4-dihydro-2H-quinolin-1-yl)-2-oxoethyl]-3-(4-methylphenyl)sulfonylurea
CID 110370826
1-[1-(2,3-dihydroindol-1-yl)-1-oxopropan-2-yl]-3-(3-methylbutyl)urea
CID 46383468
phenyl N-[(2S)-1-(2,3-dihydroindol-1-yl)-1-oxopropan-2-yl]carbamate
CID 110348139
N-[(2S)-1-(3,4-dihydro-2H-quinolin-1-yl)-1-oxopropan-2-yl]-1-(4-methylphenyl)sulfonylpiperidine-4-carboxamide
CID 95091870

Frequently Asked Questions

What is the IUPAC name of 1-[(2S)-1-(2,3-dihydroindol-1-yl)-1-oxopropan-2-yl]-3-(4-methylphenyl)sulfonylurea?
The IUPAC name of 1-[(2S)-1-(2,3-dihydroindol-1-yl)-1-oxopropan-2-yl]-3-(4-methylphenyl)sulfonylurea (CID 110348145) is 1-[(2S)-1-(2,3-dihydroindol-1-yl)-1-oxopropan-2-yl]-3-(4-methylphenyl)sulfonylurea.
What is the SMILES notation for 1-[(2S)-1-(2,3-dihydroindol-1-yl)-1-oxopropan-2-yl]-3-(4-methylphenyl)sulfonylurea?
The canonical SMILES for 1-[(2S)-1-(2,3-dihydroindol-1-yl)-1-oxopropan-2-yl]-3-(4-methylphenyl)sulfonylurea is Cc1ccc(S(=O)(=O)NC(=O)N[C@@H](C)C(=O)N2CCc3ccccc32)cc1.
What is the InChIKey of 1-[(2S)-1-(2,3-dihydroindol-1-yl)-1-oxopropan-2-yl]-3-(4-methylphenyl)sulfonylurea?
The InChIKey is NWNDDIHVBQLBTA-AWEZNQCLSA-N. The full InChI is InChI=1S/C19H21N3O4S/c1-13-7-9-16(10-8-13)27(25,26)21-19(24)20-14(2)18(23)22-12-11-15-5-3-4-6-17(15)22/h3-10,14H,11-12H2,1-2H3,(H2,20,21,24)/t14-/m0/s1.
What are the key properties of 1-[(2S)-1-(2,3-dihydroindol-1-yl)-1-oxopropan-2-yl]-3-(4-methylphenyl)sulfonylurea?
1-[(2S)-1-(2,3-dihydroindol-1-yl)-1-oxopropan-2-yl]-3-(4-methylphenyl)sulfonylurea has a molecular weight of 387.46 g/mol, XLogP of 1.96, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(2S)-1-(2,3-dihydroindol-1-yl)-1-oxopropan-2-yl]-3-(4-methylphenyl)sulfonylurea is sourced from PubChem (CID 110348145), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).