N-[2-[3-(cyclohexylsulfonylmethyl)anilino]-2-oxoethyl]cyclopentanecarboxamide

C21H30N2O4S — CID 86940159

IUPACN-[2-[3-(cyclohexylsulfonylmethyl)anilino]-2-oxoethyl]cyclopentanecarboxamide
SMILESO=C(CNC(=O)C1CCCC1)Nc1cccc(CS(=O)(=O)C2CCCCC2)c1
InChIInChI=1S/C21H30N2O4S/c24-20(14-22-21(25)17-8-4-5-9-17)23-18-10-6-7-16(13-18)15-28(26,27)19-11-2-1-3-12-19/h6-7,10,13,17,19H,1-5,8-9,11-12,14-15H2,(H,22,25)(H,23,24)
InChIKeyHCIUVUOWTOBKPN-UHFFFAOYSA-N
MW406.55 g/mol
LogP3.18
Rot. Bonds7

About N-[2-[3-(cyclohexylsulfonylmethyl)anilino]-2-oxoethyl]cyclopentanecarboxamide

N-[2-[3-(cyclohexylsulfonylmethyl)anilino]-2-oxoethyl]cyclopentanecarboxamide (PubChem CID 86940159) has the molecular formula C21H30N2O4S and a molecular weight of 406.55 g/mol. Its IUPAC name is N-[2-[3-(cyclohexylsulfonylmethyl)anilino]-2-oxoethyl]cyclopentanecarboxamide.

Molecular Properties

Compound NameN-[2-[3-(cyclohexylsulfonylmethyl)anilino]-2-oxoethyl]cyclopentanecarboxamide
PubChem CID86940159
Molecular FormulaC21H30N2O4S
Molecular Weight406.55 g/mol
Exact Mass406.19
IUPAC NameN-[2-[3-(cyclohexylsulfonylmethyl)anilino]-2-oxoethyl]cyclopentanecarboxamide
SMILESO=C(CNC(=O)C1CCCC1)Nc1cccc(CS(=O)(=O)C2CCCCC2)c1
InChIInChI=1S/C21H30N2O4S/c24-20(14-22-21(25)17-8-4-5-9-17)23-18-10-6-7-16(13-18)15-28(26,27)19-11-2-1-3-12-19/h6-7,10,13,17,19H,1-5,8-9,11-12,14-15H2,(H,22,25)(H,23,24)
InChIKeyHCIUVUOWTOBKPN-UHFFFAOYSA-N
XLogP3.18
TPSA92.34 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500406.55
LogP ≤ 53.18
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

3-[3-[[2-(cyclohexanecarbonylamino)acetyl]amino]phenyl]propanoic acid
CID 120613844
N-[3-(cyclohexylsulfonylmethyl)phenyl]-2-pyrrolidin-2-ylacetamide
CID 119784568
N-[2-(3-fluoroanilino)-2-oxoethyl]cyclopentanecarboxamide
CID 772128
1-amino-N-[3-(cyclohexylsulfonylmethyl)phenyl]cyclopropane-1-carboxamide
CID 119784532
2-amino-N-[3-(cyclohexylsulfonylmethyl)phenyl]-2-phenylacetamide;hydrochloride
CID 119324202
N-[2-(3-chloroanilino)-2-oxoethyl]cyclobutanecarboxamide
CID 112997859
N-[2-(3-fluoroanilino)-2-oxoethyl]cyclobutanecarboxamide
CID 772134
1-[3-(cyclohexylsulfonylmethyl)phenyl]-3-pyridin-3-ylurea
CID 146087942
5-amino-N-[3-(cyclohexylsulfonylmethyl)phenyl]-2-methylbenzamide
CID 120632747
methyl 3-[[2-(cyclobutanecarbonylamino)acetyl]amino]benzoate
CID 112999895
N-[3-(chloromethyl)phenyl]cyclooctanecarboxamide
CID 114293358
N-[2-[[2-(2,6-dimethylanilino)-2-oxoethyl]amino]-2-oxoethyl]cyclohexanecarboxamide
CID 17424471

Frequently Asked Questions

What is the IUPAC name of N-[2-[3-(cyclohexylsulfonylmethyl)anilino]-2-oxoethyl]cyclopentanecarboxamide?
The IUPAC name of N-[2-[3-(cyclohexylsulfonylmethyl)anilino]-2-oxoethyl]cyclopentanecarboxamide (CID 86940159) is N-[2-[3-(cyclohexylsulfonylmethyl)anilino]-2-oxoethyl]cyclopentanecarboxamide.
What is the SMILES notation for N-[2-[3-(cyclohexylsulfonylmethyl)anilino]-2-oxoethyl]cyclopentanecarboxamide?
The canonical SMILES for N-[2-[3-(cyclohexylsulfonylmethyl)anilino]-2-oxoethyl]cyclopentanecarboxamide is O=C(CNC(=O)C1CCCC1)Nc1cccc(CS(=O)(=O)C2CCCCC2)c1.
What is the InChIKey of N-[2-[3-(cyclohexylsulfonylmethyl)anilino]-2-oxoethyl]cyclopentanecarboxamide?
The InChIKey is HCIUVUOWTOBKPN-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H30N2O4S/c24-20(14-22-21(25)17-8-4-5-9-17)23-18-10-6-7-16(13-18)15-28(26,27)19-11-2-1-3-12-19/h6-7,10,13,17,19H,1-5,8-9,11-12,14-15H2,(H,22,25)(H,23,24).
What are the key properties of N-[2-[3-(cyclohexylsulfonylmethyl)anilino]-2-oxoethyl]cyclopentanecarboxamide?
N-[2-[3-(cyclohexylsulfonylmethyl)anilino]-2-oxoethyl]cyclopentanecarboxamide has a molecular weight of 406.55 g/mol, XLogP of 3.18, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[3-(cyclohexylsulfonylmethyl)anilino]-2-oxoethyl]cyclopentanecarboxamide is sourced from PubChem (CID 86940159), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).