N-cyclohexyl-5-(4,5-dimethyl-1,3-thiazol-2-yl)-2-methyl-N-propan-2-ylthiophene-3-sulfonamide

C19H28N2O2S3 — CID 46392984

IUPACN-cyclohexyl-5-(4,5-dimethyl-1,3-thiazol-2-yl)-2-methyl-N-propan-2-ylthiophene-3-sulfonamide
SMILESCc1nc(-c2cc(S(=O)(=O)N(C(C)C)C3CCCCC3)c(C)s2)sc1C
InChIInChI=1S/C19H28N2O2S3/c1-12(2)21(16-9-7-6-8-10-16)26(22,23)18-11-17(24-15(18)5)19-20-13(3)14(4)25-19/h11-12,16H,6-10H2,1-5H3
InChIKeyVUMSSMJKJRZSQF-UHFFFAOYSA-N
MW412.65 g/mol
LogP5.53
Rot. Bonds5

About N-cyclohexyl-5-(4,5-dimethyl-1,3-thiazol-2-yl)-2-methyl-N-propan-2-ylthiophene-3-sulfonamide

N-cyclohexyl-5-(4,5-dimethyl-1,3-thiazol-2-yl)-2-methyl-N-propan-2-ylthiophene-3-sulfonamide (PubChem CID 46392984) has the molecular formula C19H28N2O2S3 and a molecular weight of 412.65 g/mol. Its IUPAC name is N-cyclohexyl-5-(4,5-dimethyl-1,3-thiazol-2-yl)-2-methyl-N-propan-2-ylthiophene-3-sulfonamide.

Molecular Properties

Compound NameN-cyclohexyl-5-(4,5-dimethyl-1,3-thiazol-2-yl)-2-methyl-N-propan-2-ylthiophene-3-sulfonamide
PubChem CID46392984
Molecular FormulaC19H28N2O2S3
Molecular Weight412.65 g/mol
Exact Mass412.13
IUPAC NameN-cyclohexyl-5-(4,5-dimethyl-1,3-thiazol-2-yl)-2-methyl-N-propan-2-ylthiophene-3-sulfonamide
SMILESCc1nc(-c2cc(S(=O)(=O)N(C(C)C)C3CCCCC3)c(C)s2)sc1C
InChIInChI=1S/C19H28N2O2S3/c1-12(2)21(16-9-7-6-8-10-16)26(22,23)18-11-17(24-15(18)5)19-20-13(3)14(4)25-19/h11-12,16H,6-10H2,1-5H3
InChIKeyVUMSSMJKJRZSQF-UHFFFAOYSA-N
XLogP5.53
TPSA50.27 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500412.65
LogP ≤ 55.53
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

N-cyclohexyl-5-(4,5-dimethyl-1,3-thiazol-2-yl)-2-methylthiophene-3-sulfonamide
CID 46392966
N-benzyl-5-(4,5-dimethyl-1,3-thiazol-2-yl)-N,2-dimethylthiophene-3-sulfonamide
CID 50835853
N-[(3S)-3-(azepan-1-yl)butyl]-5-(4,5-dimethyl-1,3-thiazol-2-yl)-2-methylthiophene-3-sulfonamide
CID 92884490
5-(4,5-dimethyl-1,3-thiazol-2-yl)-2-methyl-N-(2-phenylpropyl)thiophene-3-sulfonamide
CID 50835080
N-cyclohexyl-N,2-dimethyl-5-[5-(trifluoromethyl)-1H-pyrazol-3-yl]thiophene-3-sulfonamide
CID 46396414
N-cyclohexyl-2-methyl-5-(4-propan-2-yl-1,3-thiazol-2-yl)thiophene-3-sulfonamide
CID 50835214
5-(4,5-dimethyl-1,3-thiazol-2-yl)-N-(2-ethylphenyl)-2-methylthiophene-3-sulfonamide
CID 50835162
N-cyclohexyl-N,2-dimethyl-5-(3-phenyl-1,2,4-oxadiazol-5-yl)thiophene-3-sulfonamide
CID 50821802
4,5-dimethyl-2-[5-methyl-4-[(4-phenyl-3,6-dihydro-2H-pyridin-1-yl)sulfonyl]thiophen-2-yl]-1,3-thiazole
CID 46392980
2-[4-[4-(2,3-dimethylphenyl)piperazin-1-yl]sulfonyl-5-methylthiophen-2-yl]-4,5-dimethyl-1,3-thiazole
CID 50835019
3-tert-butyl-N-cyclohexyl-1-cyclopentyl-N-propan-2-ylpyrazole-4-sulfonamide
CID 42284010
N-cyclohexyl-1-cyclopentyl-3-phenyl-N-propan-2-ylpyrazole-4-sulfonamide
CID 42346917

Frequently Asked Questions

What is the IUPAC name of N-cyclohexyl-5-(4,5-dimethyl-1,3-thiazol-2-yl)-2-methyl-N-propan-2-ylthiophene-3-sulfonamide?
The IUPAC name of N-cyclohexyl-5-(4,5-dimethyl-1,3-thiazol-2-yl)-2-methyl-N-propan-2-ylthiophene-3-sulfonamide (CID 46392984) is N-cyclohexyl-5-(4,5-dimethyl-1,3-thiazol-2-yl)-2-methyl-N-propan-2-ylthiophene-3-sulfonamide.
What is the SMILES notation for N-cyclohexyl-5-(4,5-dimethyl-1,3-thiazol-2-yl)-2-methyl-N-propan-2-ylthiophene-3-sulfonamide?
The canonical SMILES for N-cyclohexyl-5-(4,5-dimethyl-1,3-thiazol-2-yl)-2-methyl-N-propan-2-ylthiophene-3-sulfonamide is Cc1nc(-c2cc(S(=O)(=O)N(C(C)C)C3CCCCC3)c(C)s2)sc1C.
What is the InChIKey of N-cyclohexyl-5-(4,5-dimethyl-1,3-thiazol-2-yl)-2-methyl-N-propan-2-ylthiophene-3-sulfonamide?
The InChIKey is VUMSSMJKJRZSQF-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H28N2O2S3/c1-12(2)21(16-9-7-6-8-10-16)26(22,23)18-11-17(24-15(18)5)19-20-13(3)14(4)25-19/h11-12,16H,6-10H2,1-5H3.
What are the key properties of N-cyclohexyl-5-(4,5-dimethyl-1,3-thiazol-2-yl)-2-methyl-N-propan-2-ylthiophene-3-sulfonamide?
N-cyclohexyl-5-(4,5-dimethyl-1,3-thiazol-2-yl)-2-methyl-N-propan-2-ylthiophene-3-sulfonamide has a molecular weight of 412.65 g/mol, XLogP of 5.53, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclohexyl-5-(4,5-dimethyl-1,3-thiazol-2-yl)-2-methyl-N-propan-2-ylthiophene-3-sulfonamide is sourced from PubChem (CID 46392984), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).