2-[benzenesulfonyl(thiophen-2-ylsulfonyl)amino]-3-cyclohexyl-N-[2-(5-fluoro-2,3-dihydroindol-1-yl)ethyl]propanamide

C29H34FN3O5S3 — CID 69195860

IUPAC2-[benzenesulfonyl(thiophen-2-ylsulfonyl)amino]-3-cyclohexyl-N-[2-(5-fluoro-2,3-dihydroindol-1-yl)ethyl]propanamide
SMILESO=C(NCCN1CCc2cc(F)ccc21)C(CC1CCCCC1)N(S(=O)(=O)c1ccccc1)S(=O)(=O)c1cccs1
InChIInChI=1S/C29H34FN3O5S3/c30-24-13-14-26-23(21-24)15-17-32(26)18-16-31-29(34)27(20-22-8-3-1-4-9-22)33(41(37,38)28-12-7-19-39-28)40(35,36)25-10-5-2-6-11-25/h2,5-7,10-14,19,21-22,27H,1,3-4,8-9,15-18,20H2,(H,31,34)
InChIKeyPGKFSRLKEBGQLD-UHFFFAOYSA-N
MW619.81 g/mol
LogP4.78
Rot. Bonds11

About 2-[benzenesulfonyl(thiophen-2-ylsulfonyl)amino]-3-cyclohexyl-N-[2-(5-fluoro-2,3-dihydroindol-1-yl)ethyl]propanamide

2-[benzenesulfonyl(thiophen-2-ylsulfonyl)amino]-3-cyclohexyl-N-[2-(5-fluoro-2,3-dihydroindol-1-yl)ethyl]propanamide (PubChem CID 69195860) has the molecular formula C29H34FN3O5S3 and a molecular weight of 619.81 g/mol. Its IUPAC name is 2-[benzenesulfonyl(thiophen-2-ylsulfonyl)amino]-3-cyclohexyl-N-[2-(5-fluoro-2,3-dihydroindol-1-yl)ethyl]propanamide.

Molecular Properties

Compound Name2-[benzenesulfonyl(thiophen-2-ylsulfonyl)amino]-3-cyclohexyl-N-[2-(5-fluoro-2,3-dihydroindol-1-yl)ethyl]propanamide
PubChem CID69195860
Molecular FormulaC29H34FN3O5S3
Molecular Weight619.81 g/mol
Exact Mass619.16
IUPAC Name2-[benzenesulfonyl(thiophen-2-ylsulfonyl)amino]-3-cyclohexyl-N-[2-(5-fluoro-2,3-dihydroindol-1-yl)ethyl]propanamide
SMILESO=C(NCCN1CCc2cc(F)ccc21)C(CC1CCCCC1)N(S(=O)(=O)c1ccccc1)S(=O)(=O)c1cccs1
InChIInChI=1S/C29H34FN3O5S3/c30-24-13-14-26-23(21-24)15-17-32(26)18-16-31-29(34)27(20-22-8-3-1-4-9-22)33(41(37,38)28-12-7-19-39-28)40(35,36)25-10-5-2-6-11-25/h2,5-7,10-14,19,21-22,27H,1,3-4,8-9,15-18,20H2,(H,31,34)
InChIKeyPGKFSRLKEBGQLD-UHFFFAOYSA-N
XLogP4.78
TPSA103.86 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds11
Heavy Atoms41
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500619.81
LogP ≤ 54.78
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Analyze 2-[benzenesulfonyl(thiophen-2-ylsulfonyl)amino]-3-cyclohexyl-N-[2-(5-fluoro-2,3-dihydroindol-1-yl)ethyl]propanamide with MolForge

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

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 2-[benzenesulfonyl(thiophen-2-ylsulfonyl)amino]-3-cyclohexyl-N-[2-(5-fluoro-2,3-dihydroindol-1-yl)ethyl]propanamide?
The IUPAC name of 2-[benzenesulfonyl(thiophen-2-ylsulfonyl)amino]-3-cyclohexyl-N-[2-(5-fluoro-2,3-dihydroindol-1-yl)ethyl]propanamide (CID 69195860) is 2-[benzenesulfonyl(thiophen-2-ylsulfonyl)amino]-3-cyclohexyl-N-[2-(5-fluoro-2,3-dihydroindol-1-yl)ethyl]propanamide.
What is the SMILES notation for 2-[benzenesulfonyl(thiophen-2-ylsulfonyl)amino]-3-cyclohexyl-N-[2-(5-fluoro-2,3-dihydroindol-1-yl)ethyl]propanamide?
The canonical SMILES for 2-[benzenesulfonyl(thiophen-2-ylsulfonyl)amino]-3-cyclohexyl-N-[2-(5-fluoro-2,3-dihydroindol-1-yl)ethyl]propanamide is O=C(NCCN1CCc2cc(F)ccc21)C(CC1CCCCC1)N(S(=O)(=O)c1ccccc1)S(=O)(=O)c1cccs1.
What is the InChIKey of 2-[benzenesulfonyl(thiophen-2-ylsulfonyl)amino]-3-cyclohexyl-N-[2-(5-fluoro-2,3-dihydroindol-1-yl)ethyl]propanamide?
The InChIKey is PGKFSRLKEBGQLD-UHFFFAOYSA-N. The full InChI is InChI=1S/C29H34FN3O5S3/c30-24-13-14-26-23(21-24)15-17-32(26)18-16-31-29(34)27(20-22-8-3-1-4-9-22)33(41(37,38)28-12-7-19-39-28)40(35,36)25-10-5-2-6-11-25/h2,5-7,10-14,19,21-22,27H,1,3-4,8-9,15-18,20H2,(H,31,34).
What are the key properties of 2-[benzenesulfonyl(thiophen-2-ylsulfonyl)amino]-3-cyclohexyl-N-[2-(5-fluoro-2,3-dihydroindol-1-yl)ethyl]propanamide?
2-[benzenesulfonyl(thiophen-2-ylsulfonyl)amino]-3-cyclohexyl-N-[2-(5-fluoro-2,3-dihydroindol-1-yl)ethyl]propanamide has a molecular weight of 619.81 g/mol, XLogP of 4.78, 11 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[benzenesulfonyl(thiophen-2-ylsulfonyl)amino]-3-cyclohexyl-N-[2-(5-fluoro-2,3-dihydroindol-1-yl)ethyl]propanamide is sourced from PubChem (CID 69195860), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).