N-[4-[1-(benzenesulfonyl)-2,3-dihydroindol-5-yl]-5-methyl-1,3-thiazol-2-yl]-2-[cyclohexyl(methyl)amino]acetamide

C27H32N4O3S2 — CID 3231882

IUPACN-[4-[1-(benzenesulfonyl)-2,3-dihydroindol-5-yl]-5-methyl-1,3-thiazol-2-yl]-2-[cyclohexyl(methyl)amino]acetamide
SMILESCc1sc(NC(=O)CN(C)C2CCCCC2)nc1-c1ccc2c(c1)CCN2S(=O)(=O)c1ccccc1
InChIInChI=1S/C27H32N4O3S2/c1-19-26(29-27(35-19)28-25(32)18-30(2)22-9-5-3-6-10-22)21-13-14-24-20(17-21)15-16-31(24)36(33,34)23-11-7-4-8-12-23/h4,7-8,11-14,17,22H,3,5-6,9-10,15-16,18H2,1-2H3,(H,28,29,32)
InChIKeyDZYPKTRQRNNTAC-UHFFFAOYSA-N
MW524.71 g/mol
LogP5.07
Rot. Bonds7

About N-[4-[1-(benzenesulfonyl)-2,3-dihydroindol-5-yl]-5-methyl-1,3-thiazol-2-yl]-2-[cyclohexyl(methyl)amino]acetamide

N-[4-[1-(benzenesulfonyl)-2,3-dihydroindol-5-yl]-5-methyl-1,3-thiazol-2-yl]-2-[cyclohexyl(methyl)amino]acetamide (PubChem CID 3231882) has the molecular formula C27H32N4O3S2 and a molecular weight of 524.71 g/mol. Its IUPAC name is N-[4-[1-(benzenesulfonyl)-2,3-dihydroindol-5-yl]-5-methyl-1,3-thiazol-2-yl]-2-[cyclohexyl(methyl)amino]acetamide.

Molecular Properties

Compound NameN-[4-[1-(benzenesulfonyl)-2,3-dihydroindol-5-yl]-5-methyl-1,3-thiazol-2-yl]-2-[cyclohexyl(methyl)amino]acetamide
PubChem CID3231882
Molecular FormulaC27H32N4O3S2
Molecular Weight524.71 g/mol
Exact Mass524.19
IUPAC NameN-[4-[1-(benzenesulfonyl)-2,3-dihydroindol-5-yl]-5-methyl-1,3-thiazol-2-yl]-2-[cyclohexyl(methyl)amino]acetamide
SMILESCc1sc(NC(=O)CN(C)C2CCCCC2)nc1-c1ccc2c(c1)CCN2S(=O)(=O)c1ccccc1
InChIInChI=1S/C27H32N4O3S2/c1-19-26(29-27(35-19)28-25(32)18-30(2)22-9-5-3-6-10-22)21-13-14-24-20(17-21)15-16-31(24)36(33,34)23-11-7-4-8-12-23/h4,7-8,11-14,17,22H,3,5-6,9-10,15-16,18H2,1-2H3,(H,28,29,32)
InChIKeyDZYPKTRQRNNTAC-UHFFFAOYSA-N
XLogP5.07
TPSA82.61 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms36
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500524.71
LogP ≤ 55.07
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze N-[4-[1-(benzenesulfonyl)-2,3-dihydroindol-5-yl]-5-methyl-1,3-thiazol-2-yl]-2-[cyclohexyl(methyl)amino]acetamide 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 N-[4-[1-(benzenesulfonyl)-2,3-dihydroindol-5-yl]-5-methyl-1,3-thiazol-2-yl]-2-[cyclohexyl(methyl)amino]acetamide?
The IUPAC name of N-[4-[1-(benzenesulfonyl)-2,3-dihydroindol-5-yl]-5-methyl-1,3-thiazol-2-yl]-2-[cyclohexyl(methyl)amino]acetamide (CID 3231882) is N-[4-[1-(benzenesulfonyl)-2,3-dihydroindol-5-yl]-5-methyl-1,3-thiazol-2-yl]-2-[cyclohexyl(methyl)amino]acetamide.
What is the SMILES notation for N-[4-[1-(benzenesulfonyl)-2,3-dihydroindol-5-yl]-5-methyl-1,3-thiazol-2-yl]-2-[cyclohexyl(methyl)amino]acetamide?
The canonical SMILES for N-[4-[1-(benzenesulfonyl)-2,3-dihydroindol-5-yl]-5-methyl-1,3-thiazol-2-yl]-2-[cyclohexyl(methyl)amino]acetamide is Cc1sc(NC(=O)CN(C)C2CCCCC2)nc1-c1ccc2c(c1)CCN2S(=O)(=O)c1ccccc1.
What is the InChIKey of N-[4-[1-(benzenesulfonyl)-2,3-dihydroindol-5-yl]-5-methyl-1,3-thiazol-2-yl]-2-[cyclohexyl(methyl)amino]acetamide?
The InChIKey is DZYPKTRQRNNTAC-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H32N4O3S2/c1-19-26(29-27(35-19)28-25(32)18-30(2)22-9-5-3-6-10-22)21-13-14-24-20(17-21)15-16-31(24)36(33,34)23-11-7-4-8-12-23/h4,7-8,11-14,17,22H,3,5-6,9-10,15-16,18H2,1-2H3,(H,28,29,32).
What are the key properties of N-[4-[1-(benzenesulfonyl)-2,3-dihydroindol-5-yl]-5-methyl-1,3-thiazol-2-yl]-2-[cyclohexyl(methyl)amino]acetamide?
N-[4-[1-(benzenesulfonyl)-2,3-dihydroindol-5-yl]-5-methyl-1,3-thiazol-2-yl]-2-[cyclohexyl(methyl)amino]acetamide has a molecular weight of 524.71 g/mol, XLogP of 5.07, 7 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-[1-(benzenesulfonyl)-2,3-dihydroindol-5-yl]-5-methyl-1,3-thiazol-2-yl]-2-[cyclohexyl(methyl)amino]acetamide is sourced from PubChem (CID 3231882), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).