N-cyclohexyl-2-[2-(1H-indol-3-yl)ethyl-methylsulfonylamino]acetamide

C19H27N3O3S — CID 113152451

IUPACN-cyclohexyl-2-[2-(1H-indol-3-yl)ethyl-methylsulfonylamino]acetamide
SMILESCS(=O)(=O)N(CCc1c[nH]c2ccccc12)CC(=O)NC1CCCCC1
InChIInChI=1S/C19H27N3O3S/c1-26(24,25)22(14-19(23)21-16-7-3-2-4-8-16)12-11-15-13-20-18-10-6-5-9-17(15)18/h5-6,9-10,13,16,20H,2-4,7-8,11-12,14H2,1H3,(H,21,23)
InChIKeyHDHJEFDJTZVSED-UHFFFAOYSA-N
MW377.51 g/mol
LogP2.42
Rot. Bonds7

About N-cyclohexyl-2-[2-(1H-indol-3-yl)ethyl-methylsulfonylamino]acetamide

N-cyclohexyl-2-[2-(1H-indol-3-yl)ethyl-methylsulfonylamino]acetamide (PubChem CID 113152451) has the molecular formula C19H27N3O3S and a molecular weight of 377.51 g/mol. Its IUPAC name is N-cyclohexyl-2-[2-(1H-indol-3-yl)ethyl-methylsulfonylamino]acetamide.

Molecular Properties

Compound NameN-cyclohexyl-2-[2-(1H-indol-3-yl)ethyl-methylsulfonylamino]acetamide
PubChem CID113152451
Molecular FormulaC19H27N3O3S
Molecular Weight377.51 g/mol
Exact Mass377.18
IUPAC NameN-cyclohexyl-2-[2-(1H-indol-3-yl)ethyl-methylsulfonylamino]acetamide
SMILESCS(=O)(=O)N(CCc1c[nH]c2ccccc12)CC(=O)NC1CCCCC1
InChIInChI=1S/C19H27N3O3S/c1-26(24,25)22(14-19(23)21-16-7-3-2-4-8-16)12-11-15-13-20-18-10-6-5-9-17(15)18/h5-6,9-10,13,16,20H,2-4,7-8,11-12,14H2,1H3,(H,21,23)
InChIKeyHDHJEFDJTZVSED-UHFFFAOYSA-N
XLogP2.42
TPSA82.27 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500377.51
LogP ≤ 52.42
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-cycloheptyl-2-[methylsulfonyl(2-phenylethyl)amino]acetamide
CID 113151851
2-[2-(1H-indol-3-yl)ethyl-methylsulfonylamino]-N-(2-methoxyethyl)acetamide
CID 113152453
N-cyclohexyl-5-(1H-indol-3-yl)pentanamide
CID 140983117
N-cyclooctyl-2-[2-(1H-indol-3-yl)ethylamino]acetamide
CID 50955220
N-(4-cyanophenyl)-2-[2-(1H-indol-3-yl)ethyl-methylsulfonylamino]acetamide
CID 113152503
N'-cyclopentyl-N-[2-(1H-indol-3-yl)ethyl]propanediamide
CID 108942165
N-tert-butyl-3-[2-(1H-indol-3-yl)ethyl-methylsulfonylamino]propanamide
CID 113140591
N-[2-(1H-indol-3-yl)ethyl]-2-[3-methylbutyl(methylsulfonyl)amino]acetamide
CID 113153236
3-cyclohexyl-1-(1H-indol-3-ylmethyl)-1-methylurea
CID 110749007
N-[2-(cyclopentylamino)-2-oxoethyl]-2-(1H-indol-3-yl)acetamide
CID 112990882
N-cyclopropyl-4-(1H-indol-3-yl)butanamide
CID 729220
2-ethyl-N-[2-[2-(1H-indol-3-yl)ethyl-methylsulfonylamino]ethyl]butanamide
CID 113067812

Frequently Asked Questions

What is the IUPAC name of N-cyclohexyl-2-[2-(1H-indol-3-yl)ethyl-methylsulfonylamino]acetamide?
The IUPAC name of N-cyclohexyl-2-[2-(1H-indol-3-yl)ethyl-methylsulfonylamino]acetamide (CID 113152451) is N-cyclohexyl-2-[2-(1H-indol-3-yl)ethyl-methylsulfonylamino]acetamide.
What is the SMILES notation for N-cyclohexyl-2-[2-(1H-indol-3-yl)ethyl-methylsulfonylamino]acetamide?
The canonical SMILES for N-cyclohexyl-2-[2-(1H-indol-3-yl)ethyl-methylsulfonylamino]acetamide is CS(=O)(=O)N(CCc1c[nH]c2ccccc12)CC(=O)NC1CCCCC1.
What is the InChIKey of N-cyclohexyl-2-[2-(1H-indol-3-yl)ethyl-methylsulfonylamino]acetamide?
The InChIKey is HDHJEFDJTZVSED-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H27N3O3S/c1-26(24,25)22(14-19(23)21-16-7-3-2-4-8-16)12-11-15-13-20-18-10-6-5-9-17(15)18/h5-6,9-10,13,16,20H,2-4,7-8,11-12,14H2,1H3,(H,21,23).
What are the key properties of N-cyclohexyl-2-[2-(1H-indol-3-yl)ethyl-methylsulfonylamino]acetamide?
N-cyclohexyl-2-[2-(1H-indol-3-yl)ethyl-methylsulfonylamino]acetamide has a molecular weight of 377.51 g/mol, XLogP of 2.42, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclohexyl-2-[2-(1H-indol-3-yl)ethyl-methylsulfonylamino]acetamide is sourced from PubChem (CID 113152451), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).