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

C23H26ClN3O4S — CID 20901783

IUPACN-[(4-chlorophenyl)methyl]-2-[[1-(cyclopropanecarbonyl)-2-methyl-2,3-dihydroindol-5-yl]sulfonyl-methylamino]acetamide
SMILESCC1Cc2cc(S(=O)(=O)N(C)CC(=O)NCc3ccc(Cl)cc3)ccc2N1C(=O)C1CC1
InChIInChI=1S/C23H26ClN3O4S/c1-15-11-18-12-20(9-10-21(18)27(15)23(29)17-5-6-17)32(30,31)26(2)14-22(28)25-13-16-3-7-19(24)8-4-16/h3-4,7-10,12,15,17H,5-6,11,13-14H2,1-2H3,(H,25,28)
InChIKeyRQBAPNAGYXUHHT-UHFFFAOYSA-N
MW476.00 g/mol
LogP2.96
Rot. Bonds7

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

N-[(4-chlorophenyl)methyl]-2-[[1-(cyclopropanecarbonyl)-2-methyl-2,3-dihydroindol-5-yl]sulfonyl-methylamino]acetamide (PubChem CID 20901783) has the molecular formula C23H26ClN3O4S and a molecular weight of 476.00 g/mol. Its IUPAC name is N-[(4-chlorophenyl)methyl]-2-[[1-(cyclopropanecarbonyl)-2-methyl-2,3-dihydroindol-5-yl]sulfonyl-methylamino]acetamide.

Molecular Properties

Compound NameN-[(4-chlorophenyl)methyl]-2-[[1-(cyclopropanecarbonyl)-2-methyl-2,3-dihydroindol-5-yl]sulfonyl-methylamino]acetamide
PubChem CID20901783
Molecular FormulaC23H26ClN3O4S
Molecular Weight476.00 g/mol
Exact Mass475.13
IUPAC NameN-[(4-chlorophenyl)methyl]-2-[[1-(cyclopropanecarbonyl)-2-methyl-2,3-dihydroindol-5-yl]sulfonyl-methylamino]acetamide
SMILESCC1Cc2cc(S(=O)(=O)N(C)CC(=O)NCc3ccc(Cl)cc3)ccc2N1C(=O)C1CC1
InChIInChI=1S/C23H26ClN3O4S/c1-15-11-18-12-20(9-10-21(18)27(15)23(29)17-5-6-17)32(30,31)26(2)14-22(28)25-13-16-3-7-19(24)8-4-16/h3-4,7-10,12,15,17H,5-6,11,13-14H2,1-2H3,(H,25,28)
InChIKeyRQBAPNAGYXUHHT-UHFFFAOYSA-N
XLogP2.96
TPSA86.79 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500476.00
LogP ≤ 52.96
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze N-[(4-chlorophenyl)methyl]-2-[[1-(cyclopropanecarbonyl)-2-methyl-2,3-dihydroindol-5-yl]sulfonyl-methylamino]acetamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2-[[1-(cyclobutanecarbonyl)-2-methyl-2,3-dihydroindol-5-yl]sulfonyl-methylamino]-N-[(3-methoxyphenyl)methyl]acetamide
CID 20911772
2-[[1-(cyclopropanecarbonyl)-2-methyl-2,3-dihydroindol-5-yl]sulfonyl-methylamino]-N-(3,5-dimethylphenyl)acetamide
CID 20901762
2-[[(2S)-1-acetyl-2-methyl-2,3-dihydroindol-5-yl]sulfonyl-methylamino]-N-(4-chlorophenyl)acetamide
CID 41051661
2-[[1-(cyclobutanecarbonyl)-2-methyl-2,3-dihydroindol-5-yl]sulfonyl-methylamino]-N-(4-methylphenyl)acetamide
CID 46276287
2-[[(2S)-1-(cyclobutanecarbonyl)-2-methyl-2,3-dihydroindol-5-yl]sulfonyl-methylamino]-N-[(2S)-2-phenylpropyl]acetamide
CID 92705990
1-(cyclopropanecarbonyl)-N,2-dimethyl-N-[2-(3-methylpiperidin-1-yl)-2-oxoethyl]-2,3-dihydroindole-5-sulfonamide
CID 20901752
1-(cyclopropanecarbonyl)-N-[2-(2,3-dihydroindol-1-yl)-2-oxoethyl]-N,2-dimethyl-2,3-dihydroindole-5-sulfonamide
CID 20901749
2-[(1-acetyl-2-methyl-2,3-dihydroindol-5-yl)sulfonyl-methylamino]-N-[(2-methoxyphenyl)methyl]acetamide
CID 20901840
N-(1,3-benzodioxol-5-ylmethyl)-3-[[1-(cyclopropanecarbonyl)-2-methyl-2,3-dihydroindol-5-yl]sulfonylamino]propanamide
CID 46274896
2-[[(2S)-1-acetyl-2-methyl-2,3-dihydroindol-5-yl]sulfonyl-methylamino]acetic acid
CID 92863762
2-[(4-chlorophenyl)sulfonyl-methylamino]-N-[[4-(methoxymethyl)phenyl]methyl]acetamide
CID 55614997
1-(cyclobutanecarbonyl)-N-[2-(3,4-dihydro-2H-quinolin-1-yl)-2-oxoethyl]-N,2-dimethyl-2,3-dihydroindole-5-sulfonamide
CID 20911763

Frequently Asked Questions

What is the IUPAC name of N-[(4-chlorophenyl)methyl]-2-[[1-(cyclopropanecarbonyl)-2-methyl-2,3-dihydroindol-5-yl]sulfonyl-methylamino]acetamide?
The IUPAC name of N-[(4-chlorophenyl)methyl]-2-[[1-(cyclopropanecarbonyl)-2-methyl-2,3-dihydroindol-5-yl]sulfonyl-methylamino]acetamide (CID 20901783) is N-[(4-chlorophenyl)methyl]-2-[[1-(cyclopropanecarbonyl)-2-methyl-2,3-dihydroindol-5-yl]sulfonyl-methylamino]acetamide.
What is the SMILES notation for N-[(4-chlorophenyl)methyl]-2-[[1-(cyclopropanecarbonyl)-2-methyl-2,3-dihydroindol-5-yl]sulfonyl-methylamino]acetamide?
The canonical SMILES for N-[(4-chlorophenyl)methyl]-2-[[1-(cyclopropanecarbonyl)-2-methyl-2,3-dihydroindol-5-yl]sulfonyl-methylamino]acetamide is CC1Cc2cc(S(=O)(=O)N(C)CC(=O)NCc3ccc(Cl)cc3)ccc2N1C(=O)C1CC1.
What is the InChIKey of N-[(4-chlorophenyl)methyl]-2-[[1-(cyclopropanecarbonyl)-2-methyl-2,3-dihydroindol-5-yl]sulfonyl-methylamino]acetamide?
The InChIKey is RQBAPNAGYXUHHT-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H26ClN3O4S/c1-15-11-18-12-20(9-10-21(18)27(15)23(29)17-5-6-17)32(30,31)26(2)14-22(28)25-13-16-3-7-19(24)8-4-16/h3-4,7-10,12,15,17H,5-6,11,13-14H2,1-2H3,(H,25,28).
What are the key properties of N-[(4-chlorophenyl)methyl]-2-[[1-(cyclopropanecarbonyl)-2-methyl-2,3-dihydroindol-5-yl]sulfonyl-methylamino]acetamide?
N-[(4-chlorophenyl)methyl]-2-[[1-(cyclopropanecarbonyl)-2-methyl-2,3-dihydroindol-5-yl]sulfonyl-methylamino]acetamide has a molecular weight of 476.00 g/mol, XLogP of 2.96, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(4-chlorophenyl)methyl]-2-[[1-(cyclopropanecarbonyl)-2-methyl-2,3-dihydroindol-5-yl]sulfonyl-methylamino]acetamide is sourced from PubChem (CID 20901783), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).