4-[4-(5-methylbenzotriazol-1-yl)piperidin-1-yl]sulfonyl-N-[(1R,2S)-2-methylcyclohexyl]benzamide

C26H33N5O3S — CID 1469744

IUPAC4-[4-(5-methylbenzotriazol-1-yl)piperidin-1-yl]sulfonyl-N-[(1R,2S)-2-methylcyclohexyl]benzamide
SMILESCc1ccc2c(c1)nnn2C1CCN(S(=O)(=O)c2ccc(C(=O)N[C@@H]3CCCC[C@@H]3C)cc2)CC1
InChIInChI=1S/C26H33N5O3S/c1-18-7-12-25-24(17-18)28-29-31(25)21-13-15-30(16-14-21)35(33,34)22-10-8-20(9-11-22)26(32)27-23-6-4-3-5-19(23)2/h7-12,17,19,21,23H,3-6,13-16H2,1-2H3,(H,27,32)/t19-,23+/m0/s1
InChIKeyVZULOMOOPHFLIC-WMZHIEFXSA-N
MW495.65 g/mol
LogP4.07
Rot. Bonds5

About 4-[4-(5-methylbenzotriazol-1-yl)piperidin-1-yl]sulfonyl-N-[(1R,2S)-2-methylcyclohexyl]benzamide

4-[4-(5-methylbenzotriazol-1-yl)piperidin-1-yl]sulfonyl-N-[(1R,2S)-2-methylcyclohexyl]benzamide (PubChem CID 1469744) has the molecular formula C26H33N5O3S and a molecular weight of 495.65 g/mol. Its IUPAC name is 4-[4-(5-methylbenzotriazol-1-yl)piperidin-1-yl]sulfonyl-N-[(1R,2S)-2-methylcyclohexyl]benzamide.

Molecular Properties

Compound Name4-[4-(5-methylbenzotriazol-1-yl)piperidin-1-yl]sulfonyl-N-[(1R,2S)-2-methylcyclohexyl]benzamide
PubChem CID1469744
Molecular FormulaC26H33N5O3S
Molecular Weight495.65 g/mol
Exact Mass495.23
IUPAC Name4-[4-(5-methylbenzotriazol-1-yl)piperidin-1-yl]sulfonyl-N-[(1R,2S)-2-methylcyclohexyl]benzamide
SMILESCc1ccc2c(c1)nnn2C1CCN(S(=O)(=O)c2ccc(C(=O)N[C@@H]3CCCC[C@@H]3C)cc2)CC1
InChIInChI=1S/C26H33N5O3S/c1-18-7-12-25-24(17-18)28-29-31(25)21-13-15-30(16-14-21)35(33,34)22-10-8-20(9-11-22)26(32)27-23-6-4-3-5-19(23)2/h7-12,17,19,21,23H,3-6,13-16H2,1-2H3,(H,27,32)/t19-,23+/m0/s1
InChIKeyVZULOMOOPHFLIC-WMZHIEFXSA-N
XLogP4.07
TPSA97.19 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms35
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500495.65
LogP ≤ 54.07
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze 4-[4-(5-methylbenzotriazol-1-yl)piperidin-1-yl]sulfonyl-N-[(1R,2S)-2-methylcyclohexyl]benzamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

4-[4-(5-methylbenzotriazol-1-yl)piperidin-1-yl]sulfonyl-N-(2-methylcyclohexyl)benzamide
CID 3219957
N,N-dimethyl-4-[4-(5-methylbenzotriazol-1-yl)piperidin-1-yl]sulfonylbenzamide
CID 656159
[(3S,5R)-3,5-dimethylpiperidin-1-yl]-[4-[4-(5-methylbenzotriazol-1-yl)piperidin-1-yl]sulfonylphenyl]methanone
CID 1469748
N-[(1S,2R)-2-methylcyclohexyl]-4-piperidin-1-ylsulfonylbenzamide
CID 9463751
N-[(1R,2R)-2-methylcyclohexyl]-1-(4-methylphenyl)sulfonylpiperidine-4-carboxamide
CID 40563886
1-ethyl-N-[(1R,2R)-2-methylcyclohexyl]benzotriazole-5-carboxamide
CID 26800374
5-fluoro-1-[1-(4-fluorophenyl)sulfonylpiperidin-4-yl]benzotriazole
CID 43814471
N-[(1S,2S)-2-methylcyclohexyl]-2-[4-[5-(trifluoromethyl)benzotriazol-1-yl]piperidin-1-yl]acetamide
CID 1469663
1-[1-(5-chloro-2-methylphenyl)sulfonylpiperidin-4-yl]-5-methylbenzotriazole
CID 1469697
1-[(1S,2S)-2-methylcyclohexyl]-3-[(4-pyrrolidin-1-ylsulfonylbenzoyl)amino]thiourea
CID 8747962
N-[(1R,2S)-2-methylcyclohexyl]-2-[4-(4-methylphenyl)sulfonylpiperazin-1-yl]acetamide
CID 8743015
1-N,4-N-bis[(1S,2R)-2-methylcyclohexyl]benzene-1,4-dicarboxamide
CID 124805645

Frequently Asked Questions

What is the IUPAC name of 4-[4-(5-methylbenzotriazol-1-yl)piperidin-1-yl]sulfonyl-N-[(1R,2S)-2-methylcyclohexyl]benzamide?
The IUPAC name of 4-[4-(5-methylbenzotriazol-1-yl)piperidin-1-yl]sulfonyl-N-[(1R,2S)-2-methylcyclohexyl]benzamide (CID 1469744) is 4-[4-(5-methylbenzotriazol-1-yl)piperidin-1-yl]sulfonyl-N-[(1R,2S)-2-methylcyclohexyl]benzamide.
What is the SMILES notation for 4-[4-(5-methylbenzotriazol-1-yl)piperidin-1-yl]sulfonyl-N-[(1R,2S)-2-methylcyclohexyl]benzamide?
The canonical SMILES for 4-[4-(5-methylbenzotriazol-1-yl)piperidin-1-yl]sulfonyl-N-[(1R,2S)-2-methylcyclohexyl]benzamide is Cc1ccc2c(c1)nnn2C1CCN(S(=O)(=O)c2ccc(C(=O)N[C@@H]3CCCC[C@@H]3C)cc2)CC1.
What is the InChIKey of 4-[4-(5-methylbenzotriazol-1-yl)piperidin-1-yl]sulfonyl-N-[(1R,2S)-2-methylcyclohexyl]benzamide?
The InChIKey is VZULOMOOPHFLIC-WMZHIEFXSA-N. The full InChI is InChI=1S/C26H33N5O3S/c1-18-7-12-25-24(17-18)28-29-31(25)21-13-15-30(16-14-21)35(33,34)22-10-8-20(9-11-22)26(32)27-23-6-4-3-5-19(23)2/h7-12,17,19,21,23H,3-6,13-16H2,1-2H3,(H,27,32)/t19-,23+/m0/s1.
What are the key properties of 4-[4-(5-methylbenzotriazol-1-yl)piperidin-1-yl]sulfonyl-N-[(1R,2S)-2-methylcyclohexyl]benzamide?
4-[4-(5-methylbenzotriazol-1-yl)piperidin-1-yl]sulfonyl-N-[(1R,2S)-2-methylcyclohexyl]benzamide has a molecular weight of 495.65 g/mol, XLogP of 4.07, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[4-(5-methylbenzotriazol-1-yl)piperidin-1-yl]sulfonyl-N-[(1R,2S)-2-methylcyclohexyl]benzamide is sourced from PubChem (CID 1469744), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).