N-[[5-[(4-chloro-2,3-dihydroindol-1-yl)sulfonyl]thiophen-2-yl]methyl]acetamide

C15H15ClN2O3S2 — CID 139005310

IUPACN-[[5-[(4-chloro-2,3-dihydroindol-1-yl)sulfonyl]thiophen-2-yl]methyl]acetamide
SMILESCC(=O)NCc1ccc(S(=O)(=O)N2CCc3c(Cl)cccc32)s1
InChIInChI=1S/C15H15ClN2O3S2/c1-10(19)17-9-11-5-6-15(22-11)23(20,21)18-8-7-12-13(16)3-2-4-14(12)18/h2-6H,7-9H2,1H3,(H,17,19)
InChIKeyXSGRHRASKBJBQB-UHFFFAOYSA-N
MW370.88 g/mol
LogP2.79
Rot. Bonds4

About N-[[5-[(4-chloro-2,3-dihydroindol-1-yl)sulfonyl]thiophen-2-yl]methyl]acetamide

N-[[5-[(4-chloro-2,3-dihydroindol-1-yl)sulfonyl]thiophen-2-yl]methyl]acetamide (PubChem CID 139005310) has the molecular formula C15H15ClN2O3S2 and a molecular weight of 370.88 g/mol. Its IUPAC name is N-[[5-[(4-chloro-2,3-dihydroindol-1-yl)sulfonyl]thiophen-2-yl]methyl]acetamide.

Molecular Properties

Compound NameN-[[5-[(4-chloro-2,3-dihydroindol-1-yl)sulfonyl]thiophen-2-yl]methyl]acetamide
PubChem CID139005310
Molecular FormulaC15H15ClN2O3S2
Molecular Weight370.88 g/mol
Exact Mass370.02
IUPAC NameN-[[5-[(4-chloro-2,3-dihydroindol-1-yl)sulfonyl]thiophen-2-yl]methyl]acetamide
SMILESCC(=O)NCc1ccc(S(=O)(=O)N2CCc3c(Cl)cccc32)s1
InChIInChI=1S/C15H15ClN2O3S2/c1-10(19)17-9-11-5-6-15(22-11)23(20,21)18-8-7-12-13(16)3-2-4-14(12)18/h2-6H,7-9H2,1H3,(H,17,19)
InChIKeyXSGRHRASKBJBQB-UHFFFAOYSA-N
XLogP2.79
TPSA66.48 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500370.88
LogP ≤ 52.79
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze N-[[5-[(4-chloro-2,3-dihydroindol-1-yl)sulfonyl]thiophen-2-yl]methyl]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

N-[[5-(2,3-dihydro-1,4-benzoxazin-4-ylsulfonyl)thiophen-2-yl]methyl]acetamide
CID 34102952
N-[[5-[4-(2,3-dimethylphenyl)piperazin-1-yl]sulfonylthiophen-2-yl]methyl]acetamide
CID 60516928
N-[(5-morpholin-4-ylsulfonylthiophen-2-yl)methyl]acetamide
CID 39792074
1-[5-(acetamidomethyl)thiophen-2-yl]sulfonylpiperidine-4-carboxamide
CID 154774764
N-[[5-(1,3-thiazolidin-3-ylsulfonyl)thiophen-2-yl]methyl]acetamide
CID 122332215
N-[(5-pyrrolidin-1-ylsulfonylthiophen-2-yl)methyl]benzamide
CID 17440789
N-[[5-[(3S,5R)-3,5-dimethylpiperidin-1-yl]sulfonylthiophen-2-yl]methyl]acetamide
CID 30963356
N-[[5-[(3S)-3-methylpiperazin-1-yl]sulfonylthiophen-2-yl]methyl]acetamide
CID 124696448
N-[[5-[4-(2-methyl-6-pyrrolidin-1-ylpyrimidin-4-yl)piperazin-1-yl]sulfonylthiophen-2-yl]methyl]acetamide
CID 122340614
3-acetamido-2-methyl-N-[(5-pyrrolidin-1-ylsulfonylthiophen-2-yl)methyl]benzamide
CID 53112317
(2R)-N-[[5-(azepan-1-ylsulfonyl)thiophen-2-yl]methyl]-2-(3-chlorophenoxy)propanamide
CID 95086831
1-[(2,3-dichlorophenyl)methyl]-1-methyl-3-[(5-morpholin-4-ylsulfonylthiophen-2-yl)methyl]urea
CID 41191116

Frequently Asked Questions

What is the IUPAC name of N-[[5-[(4-chloro-2,3-dihydroindol-1-yl)sulfonyl]thiophen-2-yl]methyl]acetamide?
The IUPAC name of N-[[5-[(4-chloro-2,3-dihydroindol-1-yl)sulfonyl]thiophen-2-yl]methyl]acetamide (CID 139005310) is N-[[5-[(4-chloro-2,3-dihydroindol-1-yl)sulfonyl]thiophen-2-yl]methyl]acetamide.
What is the SMILES notation for N-[[5-[(4-chloro-2,3-dihydroindol-1-yl)sulfonyl]thiophen-2-yl]methyl]acetamide?
The canonical SMILES for N-[[5-[(4-chloro-2,3-dihydroindol-1-yl)sulfonyl]thiophen-2-yl]methyl]acetamide is CC(=O)NCc1ccc(S(=O)(=O)N2CCc3c(Cl)cccc32)s1.
What is the InChIKey of N-[[5-[(4-chloro-2,3-dihydroindol-1-yl)sulfonyl]thiophen-2-yl]methyl]acetamide?
The InChIKey is XSGRHRASKBJBQB-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H15ClN2O3S2/c1-10(19)17-9-11-5-6-15(22-11)23(20,21)18-8-7-12-13(16)3-2-4-14(12)18/h2-6H,7-9H2,1H3,(H,17,19).
What are the key properties of N-[[5-[(4-chloro-2,3-dihydroindol-1-yl)sulfonyl]thiophen-2-yl]methyl]acetamide?
N-[[5-[(4-chloro-2,3-dihydroindol-1-yl)sulfonyl]thiophen-2-yl]methyl]acetamide has a molecular weight of 370.88 g/mol, XLogP of 2.79, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[5-[(4-chloro-2,3-dihydroindol-1-yl)sulfonyl]thiophen-2-yl]methyl]acetamide is sourced from PubChem (CID 139005310), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).