2-[[(2S)-1-acetyl-2-methyl-2,3-dihydroindol-5-yl]sulfonyl-methylamino]-N-(4-chlorophenyl)acetamide

C20H22ClN3O4S — CID 41051661

IUPAC2-[[(2S)-1-acetyl-2-methyl-2,3-dihydroindol-5-yl]sulfonyl-methylamino]-N-(4-chlorophenyl)acetamide
SMILESCC(=O)N1c2ccc(S(=O)(=O)N(C)CC(=O)Nc3ccc(Cl)cc3)cc2C[C@@H]1C
InChIInChI=1S/C20H22ClN3O4S/c1-13-10-15-11-18(8-9-19(15)24(13)14(2)25)29(27,28)23(3)12-20(26)22-17-6-4-16(21)5-7-17/h4-9,11,13H,10,12H2,1-3H3,(H,22,26)/t13-/m0/s1
InChIKeyRYKRBBIKYJNBQS-ZDUSSCGKSA-N
MW435.93 g/mol
LogP2.90
Rot. Bonds5

About 2-[[(2S)-1-acetyl-2-methyl-2,3-dihydroindol-5-yl]sulfonyl-methylamino]-N-(4-chlorophenyl)acetamide

2-[[(2S)-1-acetyl-2-methyl-2,3-dihydroindol-5-yl]sulfonyl-methylamino]-N-(4-chlorophenyl)acetamide (PubChem CID 41051661) has the molecular formula C20H22ClN3O4S and a molecular weight of 435.93 g/mol. Its IUPAC name is 2-[[(2S)-1-acetyl-2-methyl-2,3-dihydroindol-5-yl]sulfonyl-methylamino]-N-(4-chlorophenyl)acetamide.

Molecular Properties

Compound Name2-[[(2S)-1-acetyl-2-methyl-2,3-dihydroindol-5-yl]sulfonyl-methylamino]-N-(4-chlorophenyl)acetamide
PubChem CID41051661
Molecular FormulaC20H22ClN3O4S
Molecular Weight435.93 g/mol
Exact Mass435.10
IUPAC Name2-[[(2S)-1-acetyl-2-methyl-2,3-dihydroindol-5-yl]sulfonyl-methylamino]-N-(4-chlorophenyl)acetamide
SMILESCC(=O)N1c2ccc(S(=O)(=O)N(C)CC(=O)Nc3ccc(Cl)cc3)cc2C[C@@H]1C
InChIInChI=1S/C20H22ClN3O4S/c1-13-10-15-11-18(8-9-19(15)24(13)14(2)25)29(27,28)23(3)12-20(26)22-17-6-4-16(21)5-7-17/h4-9,11,13H,10,12H2,1-3H3,(H,22,26)/t13-/m0/s1
InChIKeyRYKRBBIKYJNBQS-ZDUSSCGKSA-N
XLogP2.90
TPSA86.79 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500435.93
LogP ≤ 52.90
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-[[(2S)-1-acetyl-2-methyl-2,3-dihydroindol-5-yl]sulfonyl-methylamino]acetic acid
CID 92863762
2-[[(2R)-1-acetyl-2-methyl-2,3-dihydroindol-5-yl]sulfonyl-methylamino]-N-(2,5-dimethylphenyl)acetamide
CID 41051668
2-[[1-(cyclobutanecarbonyl)-2-methyl-2,3-dihydroindol-5-yl]sulfonyl-methylamino]-N-(4-methylphenyl)acetamide
CID 46276287
2-[[1-(cyclopropanecarbonyl)-2-methyl-2,3-dihydroindol-5-yl]sulfonyl-methylamino]-N-(3,5-dimethylphenyl)acetamide
CID 20901762
N-[(4-chlorophenyl)methyl]-2-[[1-(cyclopropanecarbonyl)-2-methyl-2,3-dihydroindol-5-yl]sulfonyl-methylamino]acetamide
CID 20901783
2-[(1-acetyl-2-methyl-2,3-dihydroindol-5-yl)sulfonyl-methylamino]-N-[(2-methoxyphenyl)methyl]acetamide
CID 20901840
(3R)-1-[[(2S)-1-acetyl-2-methyl-2,3-dihydroindol-5-yl]sulfonyl]-N-(4-chlorophenyl)piperidine-3-carboxamide
CID 92687756
3-[(1-acetyl-2-methyl-2,3-dihydroindol-5-yl)sulfonylamino]-N-(3-chloro-4-fluorophenyl)propanamide
CID 46274855
1-acetyl-N-[2-(2,3-dihydroindol-1-yl)-2-oxoethyl]-N,2-dimethyl-2,3-dihydroindole-5-sulfonamide
CID 20901814
N-[4-[[(2S)-1-acetyl-2-methyl-2,3-dihydroindol-5-yl]sulfonylamino]phenyl]acetamide
CID 28737727
1-acetyl-N,2-dimethyl-N-[(2-methylphenyl)methyl]-2,3-dihydroindole-5-sulfonamide
CID 51320229
3-[(1-acetyl-2-methyl-2,3-dihydroindol-5-yl)sulfonylamino]-N-(4-acetylphenyl)propanamide
CID 46274810

Frequently Asked Questions

What is the IUPAC name of 2-[[(2S)-1-acetyl-2-methyl-2,3-dihydroindol-5-yl]sulfonyl-methylamino]-N-(4-chlorophenyl)acetamide?
The IUPAC name of 2-[[(2S)-1-acetyl-2-methyl-2,3-dihydroindol-5-yl]sulfonyl-methylamino]-N-(4-chlorophenyl)acetamide (CID 41051661) is 2-[[(2S)-1-acetyl-2-methyl-2,3-dihydroindol-5-yl]sulfonyl-methylamino]-N-(4-chlorophenyl)acetamide.
What is the SMILES notation for 2-[[(2S)-1-acetyl-2-methyl-2,3-dihydroindol-5-yl]sulfonyl-methylamino]-N-(4-chlorophenyl)acetamide?
The canonical SMILES for 2-[[(2S)-1-acetyl-2-methyl-2,3-dihydroindol-5-yl]sulfonyl-methylamino]-N-(4-chlorophenyl)acetamide is CC(=O)N1c2ccc(S(=O)(=O)N(C)CC(=O)Nc3ccc(Cl)cc3)cc2C[C@@H]1C.
What is the InChIKey of 2-[[(2S)-1-acetyl-2-methyl-2,3-dihydroindol-5-yl]sulfonyl-methylamino]-N-(4-chlorophenyl)acetamide?
The InChIKey is RYKRBBIKYJNBQS-ZDUSSCGKSA-N. The full InChI is InChI=1S/C20H22ClN3O4S/c1-13-10-15-11-18(8-9-19(15)24(13)14(2)25)29(27,28)23(3)12-20(26)22-17-6-4-16(21)5-7-17/h4-9,11,13H,10,12H2,1-3H3,(H,22,26)/t13-/m0/s1.
What are the key properties of 2-[[(2S)-1-acetyl-2-methyl-2,3-dihydroindol-5-yl]sulfonyl-methylamino]-N-(4-chlorophenyl)acetamide?
2-[[(2S)-1-acetyl-2-methyl-2,3-dihydroindol-5-yl]sulfonyl-methylamino]-N-(4-chlorophenyl)acetamide has a molecular weight of 435.93 g/mol, XLogP of 2.90, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[(2S)-1-acetyl-2-methyl-2,3-dihydroindol-5-yl]sulfonyl-methylamino]-N-(4-chlorophenyl)acetamide is sourced from PubChem (CID 41051661), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).