N-cyclohexyl-3-(3,5-dimethylpiperidin-1-yl)sulfonyl-4-methoxy-N-methylbenzamide

C22H34N2O4S — CID 55334509

IUPACN-cyclohexyl-3-(3,5-dimethylpiperidin-1-yl)sulfonyl-4-methoxy-N-methylbenzamide
SMILESCOc1ccc(C(=O)N(C)C2CCCCC2)cc1S(=O)(=O)N1CC(C)CC(C)C1
InChIInChI=1S/C22H34N2O4S/c1-16-12-17(2)15-24(14-16)29(26,27)21-13-18(10-11-20(21)28-4)22(25)23(3)19-8-6-5-7-9-19/h10-11,13,16-17,19H,5-9,12,14-15H2,1-4H3
InChIKeyNIPSIVQHYUPOCL-UHFFFAOYSA-N
MW422.59 g/mol
LogP3.77
Rot. Bonds5

About N-cyclohexyl-3-(3,5-dimethylpiperidin-1-yl)sulfonyl-4-methoxy-N-methylbenzamide

N-cyclohexyl-3-(3,5-dimethylpiperidin-1-yl)sulfonyl-4-methoxy-N-methylbenzamide (PubChem CID 55334509) has the molecular formula C22H34N2O4S and a molecular weight of 422.59 g/mol. Its IUPAC name is N-cyclohexyl-3-(3,5-dimethylpiperidin-1-yl)sulfonyl-4-methoxy-N-methylbenzamide.

Molecular Properties

Compound NameN-cyclohexyl-3-(3,5-dimethylpiperidin-1-yl)sulfonyl-4-methoxy-N-methylbenzamide
PubChem CID55334509
Molecular FormulaC22H34N2O4S
Molecular Weight422.59 g/mol
Exact Mass422.22
IUPAC NameN-cyclohexyl-3-(3,5-dimethylpiperidin-1-yl)sulfonyl-4-methoxy-N-methylbenzamide
SMILESCOc1ccc(C(=O)N(C)C2CCCCC2)cc1S(=O)(=O)N1CC(C)CC(C)C1
InChIInChI=1S/C22H34N2O4S/c1-16-12-17(2)15-24(14-16)29(26,27)21-13-18(10-11-20(21)28-4)22(25)23(3)19-8-6-5-7-9-19/h10-11,13,16-17,19H,5-9,12,14-15H2,1-4H3
InChIKeyNIPSIVQHYUPOCL-UHFFFAOYSA-N
XLogP3.77
TPSA66.92 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500422.59
LogP ≤ 53.77
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

N-butyl-3-(3,5-dimethylpiperidin-1-yl)sulfonyl-4-methoxy-N-methylbenzamide
CID 55547953
2,3,4a,5,6,7,8,8a-octahydrobenzo[b][1,4]oxazin-4-yl-[3-(3,5-dimethylpiperidin-1-yl)sulfonyl-4-methoxyphenyl]methanone
CID 55806516
N-[2-(dimethylamino)-2-oxoethyl]-3-(3,5-dimethylpiperidin-1-yl)sulfonyl-4-methoxybenzamide
CID 55408650
3-[(3R,5S)-3,5-dimethylpiperidin-1-yl]sulfonyl-N-[[(1R,3R)-3-hydroxycyclohexyl]methyl]-4-methoxybenzamide
CID 100853032
N-cyclohexyl-N-ethyl-4-methoxy-3-pyrrolidin-1-ylsulfonylbenzamide
CID 18156104
5-[cyclopropyl(methyl)carbamoyl]-2-methoxybenzenesulfonyl chloride
CID 65371454
3-(3,5-dimethylpiperidin-1-yl)sulfonyl-4-methoxy-N-prop-2-enylbenzamide
CID 51157554
[2-[cyclohexyl(methyl)amino]-2-oxoethyl] 3-(azepan-1-ylsulfonyl)-4-methoxybenzoate
CID 16509351
3-(3,5-dimethylpiperidin-1-yl)sulfonyl-N-ethoxy-4-methoxybenzamide
CID 51279171
3-oxobutan-2-yl 3-(3,5-dimethylpiperidin-1-yl)sulfonyl-4-methoxybenzoate
CID 43028418
4-chloro-N-cyclohexyl-N-methyl-3-piperidin-1-ylsulfonylbenzamide
CID 27670624
N-(5-cyclohexyl-1,3,4-thiadiazol-2-yl)-3-(3,5-dimethylpiperidin-1-yl)sulfonyl-4-methoxybenzamide
CID 167907390

Frequently Asked Questions

What is the IUPAC name of N-cyclohexyl-3-(3,5-dimethylpiperidin-1-yl)sulfonyl-4-methoxy-N-methylbenzamide?
The IUPAC name of N-cyclohexyl-3-(3,5-dimethylpiperidin-1-yl)sulfonyl-4-methoxy-N-methylbenzamide (CID 55334509) is N-cyclohexyl-3-(3,5-dimethylpiperidin-1-yl)sulfonyl-4-methoxy-N-methylbenzamide.
What is the SMILES notation for N-cyclohexyl-3-(3,5-dimethylpiperidin-1-yl)sulfonyl-4-methoxy-N-methylbenzamide?
The canonical SMILES for N-cyclohexyl-3-(3,5-dimethylpiperidin-1-yl)sulfonyl-4-methoxy-N-methylbenzamide is COc1ccc(C(=O)N(C)C2CCCCC2)cc1S(=O)(=O)N1CC(C)CC(C)C1.
What is the InChIKey of N-cyclohexyl-3-(3,5-dimethylpiperidin-1-yl)sulfonyl-4-methoxy-N-methylbenzamide?
The InChIKey is NIPSIVQHYUPOCL-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H34N2O4S/c1-16-12-17(2)15-24(14-16)29(26,27)21-13-18(10-11-20(21)28-4)22(25)23(3)19-8-6-5-7-9-19/h10-11,13,16-17,19H,5-9,12,14-15H2,1-4H3.
What are the key properties of N-cyclohexyl-3-(3,5-dimethylpiperidin-1-yl)sulfonyl-4-methoxy-N-methylbenzamide?
N-cyclohexyl-3-(3,5-dimethylpiperidin-1-yl)sulfonyl-4-methoxy-N-methylbenzamide has a molecular weight of 422.59 g/mol, XLogP of 3.77, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclohexyl-3-(3,5-dimethylpiperidin-1-yl)sulfonyl-4-methoxy-N-methylbenzamide is sourced from PubChem (CID 55334509), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).