N-[2-[cyclohexyl(methyl)amino]ethyl]-3-[(3-fluoro-4-methylphenyl)sulfonylamino]-N-methylbenzamide

C24H32FN3O3S — CID 60579589

IUPACN-[2-[cyclohexyl(methyl)amino]ethyl]-3-[(3-fluoro-4-methylphenyl)sulfonylamino]-N-methylbenzamide
SMILESCc1ccc(S(=O)(=O)Nc2cccc(C(=O)N(C)CCN(C)C3CCCCC3)c2)cc1F
InChIInChI=1S/C24H32FN3O3S/c1-18-12-13-22(17-23(18)25)32(30,31)26-20-9-7-8-19(16-20)24(29)28(3)15-14-27(2)21-10-5-4-6-11-21/h7-9,12-13,16-17,21,26H,4-6,10-11,14-15H2,1-3H3
InChIKeyLJKGGNUFGUPOFG-UHFFFAOYSA-N
MW461.60 g/mol
LogP4.27
Rot. Bonds8

About N-[2-[cyclohexyl(methyl)amino]ethyl]-3-[(3-fluoro-4-methylphenyl)sulfonylamino]-N-methylbenzamide

N-[2-[cyclohexyl(methyl)amino]ethyl]-3-[(3-fluoro-4-methylphenyl)sulfonylamino]-N-methylbenzamide (PubChem CID 60579589) has the molecular formula C24H32FN3O3S and a molecular weight of 461.60 g/mol. Its IUPAC name is N-[2-[cyclohexyl(methyl)amino]ethyl]-3-[(3-fluoro-4-methylphenyl)sulfonylamino]-N-methylbenzamide.

Molecular Properties

Compound NameN-[2-[cyclohexyl(methyl)amino]ethyl]-3-[(3-fluoro-4-methylphenyl)sulfonylamino]-N-methylbenzamide
PubChem CID60579589
Molecular FormulaC24H32FN3O3S
Molecular Weight461.60 g/mol
Exact Mass461.21
IUPAC NameN-[2-[cyclohexyl(methyl)amino]ethyl]-3-[(3-fluoro-4-methylphenyl)sulfonylamino]-N-methylbenzamide
SMILESCc1ccc(S(=O)(=O)Nc2cccc(C(=O)N(C)CCN(C)C3CCCCC3)c2)cc1F
InChIInChI=1S/C24H32FN3O3S/c1-18-12-13-22(17-23(18)25)32(30,31)26-20-9-7-8-19(16-20)24(29)28(3)15-14-27(2)21-10-5-4-6-11-21/h7-9,12-13,16-17,21,26H,4-6,10-11,14-15H2,1-3H3
InChIKeyLJKGGNUFGUPOFG-UHFFFAOYSA-N
XLogP4.27
TPSA69.72 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500461.60
LogP ≤ 54.27
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

3-[(3-fluoro-4-methylphenyl)sulfonylamino]-N-methyl-N-[2-(3-methylphenoxy)ethyl]benzamide
CID 26980104
3-[(3-fluoro-4-methylphenyl)sulfonylamino]-N-methyl-N-pyrrolidin-3-ylbenzamide;hydrochloride
CID 119552441
3-[(3-fluoro-4-methylphenyl)sulfonylamino]-N-methyl-N-(thiophen-3-ylmethyl)benzamide
CID 18117406
3-[(3-fluoro-4-methylphenyl)sulfonylamino]-N,N-bis(prop-2-enyl)benzamide
CID 78784405
N,N-bis(2-cyanoethyl)-3-[(3-fluoro-4-methylphenyl)sulfonylamino]benzamide
CID 55370274
N-[2-(2-chloroanilino)-2-oxoethyl]-3-[(3-fluoro-4-methylphenyl)sulfonylamino]-N-methylbenzamide
CID 26560876
N-[3-(cyclopropylmethoxy)propyl]-3-[(3-fluoro-4-methylphenyl)sulfonylamino]benzamide
CID 18228148
3-(benzenesulfonamido)-N-cyclohexyl-N-methylbenzamide
CID 27670732
3-[(3-fluoro-4-methylphenyl)sulfonylamino]-N-(3-methoxypropyl)benzamide
CID 26593247
3-[(3-fluoro-4-methylphenyl)sulfonylamino]-N-pyrrolidin-3-ylbenzamide;hydrochloride
CID 119452000
3-[(3-fluoro-4-methylphenyl)sulfonylamino]-N-[1-(2-methoxyphenyl)ethyl]-N-methylbenzamide
CID 46591499
N-[2-(2,6-dimethylanilino)-2-oxoethyl]-3-[(3-fluoro-4-methylphenyl)sulfonylamino]benzamide
CID 27760804

Frequently Asked Questions

What is the IUPAC name of N-[2-[cyclohexyl(methyl)amino]ethyl]-3-[(3-fluoro-4-methylphenyl)sulfonylamino]-N-methylbenzamide?
The IUPAC name of N-[2-[cyclohexyl(methyl)amino]ethyl]-3-[(3-fluoro-4-methylphenyl)sulfonylamino]-N-methylbenzamide (CID 60579589) is N-[2-[cyclohexyl(methyl)amino]ethyl]-3-[(3-fluoro-4-methylphenyl)sulfonylamino]-N-methylbenzamide.
What is the SMILES notation for N-[2-[cyclohexyl(methyl)amino]ethyl]-3-[(3-fluoro-4-methylphenyl)sulfonylamino]-N-methylbenzamide?
The canonical SMILES for N-[2-[cyclohexyl(methyl)amino]ethyl]-3-[(3-fluoro-4-methylphenyl)sulfonylamino]-N-methylbenzamide is Cc1ccc(S(=O)(=O)Nc2cccc(C(=O)N(C)CCN(C)C3CCCCC3)c2)cc1F.
What is the InChIKey of N-[2-[cyclohexyl(methyl)amino]ethyl]-3-[(3-fluoro-4-methylphenyl)sulfonylamino]-N-methylbenzamide?
The InChIKey is LJKGGNUFGUPOFG-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H32FN3O3S/c1-18-12-13-22(17-23(18)25)32(30,31)26-20-9-7-8-19(16-20)24(29)28(3)15-14-27(2)21-10-5-4-6-11-21/h7-9,12-13,16-17,21,26H,4-6,10-11,14-15H2,1-3H3.
What are the key properties of N-[2-[cyclohexyl(methyl)amino]ethyl]-3-[(3-fluoro-4-methylphenyl)sulfonylamino]-N-methylbenzamide?
N-[2-[cyclohexyl(methyl)amino]ethyl]-3-[(3-fluoro-4-methylphenyl)sulfonylamino]-N-methylbenzamide has a molecular weight of 461.60 g/mol, XLogP of 4.27, 8 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[cyclohexyl(methyl)amino]ethyl]-3-[(3-fluoro-4-methylphenyl)sulfonylamino]-N-methylbenzamide is sourced from PubChem (CID 60579589), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).