N-[2-(cyclohexylamino)-2-oxoethyl]-4-methoxy-3-methylsulfonylbenzamide

C17H24N2O5S — CID 110625200

IUPACN-[2-(cyclohexylamino)-2-oxoethyl]-4-methoxy-3-methylsulfonylbenzamide
SMILESCOc1ccc(C(=O)NCC(=O)NC2CCCCC2)cc1S(C)(=O)=O
InChIInChI=1S/C17H24N2O5S/c1-24-14-9-8-12(10-15(14)25(2,22)23)17(21)18-11-16(20)19-13-6-4-3-5-7-13/h8-10,13H,3-7,11H2,1-2H3,(H,18,21)(H,19,20)
InChIKeyPZFJPBITIBYWHL-UHFFFAOYSA-N
MW368.46 g/mol
LogP1.28
Rot. Bonds6

About N-[2-(cyclohexylamino)-2-oxoethyl]-4-methoxy-3-methylsulfonylbenzamide

N-[2-(cyclohexylamino)-2-oxoethyl]-4-methoxy-3-methylsulfonylbenzamide (PubChem CID 110625200) has the molecular formula C17H24N2O5S and a molecular weight of 368.46 g/mol. Its IUPAC name is N-[2-(cyclohexylamino)-2-oxoethyl]-4-methoxy-3-methylsulfonylbenzamide.

Molecular Properties

Compound NameN-[2-(cyclohexylamino)-2-oxoethyl]-4-methoxy-3-methylsulfonylbenzamide
PubChem CID110625200
Molecular FormulaC17H24N2O5S
Molecular Weight368.46 g/mol
Exact Mass368.14
IUPAC NameN-[2-(cyclohexylamino)-2-oxoethyl]-4-methoxy-3-methylsulfonylbenzamide
SMILESCOc1ccc(C(=O)NCC(=O)NC2CCCCC2)cc1S(C)(=O)=O
InChIInChI=1S/C17H24N2O5S/c1-24-14-9-8-12(10-15(14)25(2,22)23)17(21)18-11-16(20)19-13-6-4-3-5-7-13/h8-10,13H,3-7,11H2,1-2H3,(H,18,21)(H,19,20)
InChIKeyPZFJPBITIBYWHL-UHFFFAOYSA-N
XLogP1.28
TPSA101.57 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500368.46
LogP ≤ 51.28
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

N-[2-(cycloheptylamino)-2-oxoethyl]-4-(difluoromethoxy)-3-methoxybenzamide
CID 9217777
N-cyclohexyl-4-methoxy-3-sulfamoylbenzamide
CID 60635033
N-[2-(cyclopentylamino)-2-oxoethyl]-3,4-diethoxybenzamide
CID 26697465
N-[2-(cyclopropylamino)-2-oxoethyl]-3-hydroxy-4-methoxybenzamide
CID 79601075
5-(cyclohexylcarbamoyl)-2-methoxybenzenesulfonyl chloride
CID 65366957
ethyl 4-[(4-methoxy-3-methylsulfonylbenzoyl)amino]piperidine-1-carboxylate
CID 110413308
3,4-dimethoxy-N-[2-[(2-methylcyclohexyl)amino]-2-oxoethyl]benzamide
CID 46651506
cis-(1S,3R)-3-[[2-[(3,4-dimethoxybenzoyl)amino]acetyl]amino]cyclopentane-1-carboxylic acid
CID 120675967
3-(tert-butylsulfamoyl)-N-cycloheptyl-4-methoxybenzamide
CID 26516485
3-(cyclopentylsulfamoyl)-4-methoxy-N-(2-oxo-2-pyrrolidin-1-ylethyl)benzamide
CID 46508124
N-cyclohexyl-3,4-dimethoxybenzamide;hydrochloride
CID 67897205
N-[2-(cyclopentylamino)-2-oxoethyl]-4-methylbenzamide
CID 1262280

Frequently Asked Questions

What is the IUPAC name of N-[2-(cyclohexylamino)-2-oxoethyl]-4-methoxy-3-methylsulfonylbenzamide?
The IUPAC name of N-[2-(cyclohexylamino)-2-oxoethyl]-4-methoxy-3-methylsulfonylbenzamide (CID 110625200) is N-[2-(cyclohexylamino)-2-oxoethyl]-4-methoxy-3-methylsulfonylbenzamide.
What is the SMILES notation for N-[2-(cyclohexylamino)-2-oxoethyl]-4-methoxy-3-methylsulfonylbenzamide?
The canonical SMILES for N-[2-(cyclohexylamino)-2-oxoethyl]-4-methoxy-3-methylsulfonylbenzamide is COc1ccc(C(=O)NCC(=O)NC2CCCCC2)cc1S(C)(=O)=O.
What is the InChIKey of N-[2-(cyclohexylamino)-2-oxoethyl]-4-methoxy-3-methylsulfonylbenzamide?
The InChIKey is PZFJPBITIBYWHL-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H24N2O5S/c1-24-14-9-8-12(10-15(14)25(2,22)23)17(21)18-11-16(20)19-13-6-4-3-5-7-13/h8-10,13H,3-7,11H2,1-2H3,(H,18,21)(H,19,20).
What are the key properties of N-[2-(cyclohexylamino)-2-oxoethyl]-4-methoxy-3-methylsulfonylbenzamide?
N-[2-(cyclohexylamino)-2-oxoethyl]-4-methoxy-3-methylsulfonylbenzamide has a molecular weight of 368.46 g/mol, XLogP of 1.28, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(cyclohexylamino)-2-oxoethyl]-4-methoxy-3-methylsulfonylbenzamide is sourced from PubChem (CID 110625200), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).