N-[(1R,2R,3S)-2,3-dimethylcyclohexyl]-4-(dimethylsulfamoyl)benzamide

C17H26N2O3S — CID 26797148

IUPACN-[(1R,2R,3S)-2,3-dimethylcyclohexyl]-4-(dimethylsulfamoyl)benzamide
SMILESC[C@@H]1[C@@H](C)CCC[C@H]1NC(=O)c1ccc(S(=O)(=O)N(C)C)cc1
InChIInChI=1S/C17H26N2O3S/c1-12-6-5-7-16(13(12)2)18-17(20)14-8-10-15(11-9-14)23(21,22)19(3)4/h8-13,16H,5-7H2,1-4H3,(H,18,20)/t12-,13+,16+/m0/s1
InChIKeyVAMGWTSCIOYUKH-WOSRLPQWSA-N
MW338.47 g/mol
LogP2.49
Rot. Bonds4

About N-[(1R,2R,3S)-2,3-dimethylcyclohexyl]-4-(dimethylsulfamoyl)benzamide

N-[(1R,2R,3S)-2,3-dimethylcyclohexyl]-4-(dimethylsulfamoyl)benzamide (PubChem CID 26797148) has the molecular formula C17H26N2O3S and a molecular weight of 338.47 g/mol. Its IUPAC name is N-[(1R,2R,3S)-2,3-dimethylcyclohexyl]-4-(dimethylsulfamoyl)benzamide.

Molecular Properties

Compound NameN-[(1R,2R,3S)-2,3-dimethylcyclohexyl]-4-(dimethylsulfamoyl)benzamide
PubChem CID26797148
Molecular FormulaC17H26N2O3S
Molecular Weight338.47 g/mol
Exact Mass338.17
IUPAC NameN-[(1R,2R,3S)-2,3-dimethylcyclohexyl]-4-(dimethylsulfamoyl)benzamide
SMILESC[C@@H]1[C@@H](C)CCC[C@H]1NC(=O)c1ccc(S(=O)(=O)N(C)C)cc1
InChIInChI=1S/C17H26N2O3S/c1-12-6-5-7-16(13(12)2)18-17(20)14-8-10-15(11-9-14)23(21,22)19(3)4/h8-13,16H,5-7H2,1-4H3,(H,18,20)/t12-,13+,16+/m0/s1
InChIKeyVAMGWTSCIOYUKH-WOSRLPQWSA-N
XLogP2.49
TPSA66.48 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500338.47
LogP ≤ 52.49
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-(2,3-dimethylcyclohexyl)-4-(dimethylsulfamoyl)benzamide
CID 17388431
[(2R)-1-[[(1S,2R,3S)-2,3-dimethylcyclohexyl]amino]-1-oxopropan-2-yl] 4-(dimethylsulfamoyl)benzoate
CID 11938444
4-acetyl-N-(2,3-dimethylcyclohexyl)benzamide
CID 126843777
N-[(1S,2R,3S)-2,3-dimethylcyclohexyl]-4-iodobenzamide
CID 11919878
4-amino-N-(2,3-dimethylcyclohexyl)benzamide;hydrochloride
CID 119676181
N-(2,3-dimethylcyclohexyl)-4-nitrobenzamide
CID 3684866
N-[(1R,2R,3S)-2,3-dimethylcyclohexyl]-4-methoxybenzamide
CID 51665263
3-chloro-N-(2,3-dimethylcyclohexyl)-4-iodobenzamide
CID 103221060
N-(2,3-dimethylcyclohexyl)-3,4-dihydroxybenzamide
CID 103955392
1-N,4-N-bis[(1S,2R)-2-methylcyclohexyl]benzene-1,4-dicarboxamide
CID 124805645
1-[(1R,2R,3S)-2,3-dimethylcyclohexyl]-3-[5-(dimethylsulfamoyl)-2-methylphenyl]thiourea
CID 7943135
N-(2,3-dimethylcyclohexyl)-4-[(E)-4,4-dimethylpent-2-en-2-yl]benzamide
CID 59811280

Frequently Asked Questions

What is the IUPAC name of N-[(1R,2R,3S)-2,3-dimethylcyclohexyl]-4-(dimethylsulfamoyl)benzamide?
The IUPAC name of N-[(1R,2R,3S)-2,3-dimethylcyclohexyl]-4-(dimethylsulfamoyl)benzamide (CID 26797148) is N-[(1R,2R,3S)-2,3-dimethylcyclohexyl]-4-(dimethylsulfamoyl)benzamide.
What is the SMILES notation for N-[(1R,2R,3S)-2,3-dimethylcyclohexyl]-4-(dimethylsulfamoyl)benzamide?
The canonical SMILES for N-[(1R,2R,3S)-2,3-dimethylcyclohexyl]-4-(dimethylsulfamoyl)benzamide is C[C@@H]1[C@@H](C)CCC[C@H]1NC(=O)c1ccc(S(=O)(=O)N(C)C)cc1.
What is the InChIKey of N-[(1R,2R,3S)-2,3-dimethylcyclohexyl]-4-(dimethylsulfamoyl)benzamide?
The InChIKey is VAMGWTSCIOYUKH-WOSRLPQWSA-N. The full InChI is InChI=1S/C17H26N2O3S/c1-12-6-5-7-16(13(12)2)18-17(20)14-8-10-15(11-9-14)23(21,22)19(3)4/h8-13,16H,5-7H2,1-4H3,(H,18,20)/t12-,13+,16+/m0/s1.
What are the key properties of N-[(1R,2R,3S)-2,3-dimethylcyclohexyl]-4-(dimethylsulfamoyl)benzamide?
N-[(1R,2R,3S)-2,3-dimethylcyclohexyl]-4-(dimethylsulfamoyl)benzamide has a molecular weight of 338.47 g/mol, XLogP of 2.49, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1R,2R,3S)-2,3-dimethylcyclohexyl]-4-(dimethylsulfamoyl)benzamide is sourced from PubChem (CID 26797148), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).