N-cyclohexyl-5-(4,5-dimethyl-1,3-thiazol-2-yl)-2-methylthiophene-3-sulfonamide

C16H22N2O2S3 — CID 46392966

IUPACN-cyclohexyl-5-(4,5-dimethyl-1,3-thiazol-2-yl)-2-methylthiophene-3-sulfonamide
SMILESCc1nc(-c2cc(S(=O)(=O)NC3CCCCC3)c(C)s2)sc1C
InChIInChI=1S/C16H22N2O2S3/c1-10-11(2)22-16(17-10)14-9-15(12(3)21-14)23(19,20)18-13-7-5-4-6-8-13/h9,13,18H,4-8H2,1-3H3
InChIKeyFJBJWAXGNVHUNT-UHFFFAOYSA-N
MW370.57 g/mol
LogP4.41
Rot. Bonds4

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

N-cyclohexyl-5-(4,5-dimethyl-1,3-thiazol-2-yl)-2-methylthiophene-3-sulfonamide (PubChem CID 46392966) has the molecular formula C16H22N2O2S3 and a molecular weight of 370.57 g/mol. Its IUPAC name is N-cyclohexyl-5-(4,5-dimethyl-1,3-thiazol-2-yl)-2-methylthiophene-3-sulfonamide.

Molecular Properties

Compound NameN-cyclohexyl-5-(4,5-dimethyl-1,3-thiazol-2-yl)-2-methylthiophene-3-sulfonamide
PubChem CID46392966
Molecular FormulaC16H22N2O2S3
Molecular Weight370.57 g/mol
Exact Mass370.08
IUPAC NameN-cyclohexyl-5-(4,5-dimethyl-1,3-thiazol-2-yl)-2-methylthiophene-3-sulfonamide
SMILESCc1nc(-c2cc(S(=O)(=O)NC3CCCCC3)c(C)s2)sc1C
InChIInChI=1S/C16H22N2O2S3/c1-10-11(2)22-16(17-10)14-9-15(12(3)21-14)23(19,20)18-13-7-5-4-6-8-13/h9,13,18H,4-8H2,1-3H3
InChIKeyFJBJWAXGNVHUNT-UHFFFAOYSA-N
XLogP4.41
TPSA59.06 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500370.57
LogP ≤ 54.41
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-cyclohexyl-5-(4,5-dimethyl-1,3-thiazol-2-yl)-2-methylthiophene-3-sulfonamide?
The IUPAC name of N-cyclohexyl-5-(4,5-dimethyl-1,3-thiazol-2-yl)-2-methylthiophene-3-sulfonamide (CID 46392966) is N-cyclohexyl-5-(4,5-dimethyl-1,3-thiazol-2-yl)-2-methylthiophene-3-sulfonamide.
What is the SMILES notation for N-cyclohexyl-5-(4,5-dimethyl-1,3-thiazol-2-yl)-2-methylthiophene-3-sulfonamide?
The canonical SMILES for N-cyclohexyl-5-(4,5-dimethyl-1,3-thiazol-2-yl)-2-methylthiophene-3-sulfonamide is Cc1nc(-c2cc(S(=O)(=O)NC3CCCCC3)c(C)s2)sc1C.
What is the InChIKey of N-cyclohexyl-5-(4,5-dimethyl-1,3-thiazol-2-yl)-2-methylthiophene-3-sulfonamide?
The InChIKey is FJBJWAXGNVHUNT-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H22N2O2S3/c1-10-11(2)22-16(17-10)14-9-15(12(3)21-14)23(19,20)18-13-7-5-4-6-8-13/h9,13,18H,4-8H2,1-3H3.
What are the key properties of N-cyclohexyl-5-(4,5-dimethyl-1,3-thiazol-2-yl)-2-methylthiophene-3-sulfonamide?
N-cyclohexyl-5-(4,5-dimethyl-1,3-thiazol-2-yl)-2-methylthiophene-3-sulfonamide has a molecular weight of 370.57 g/mol, XLogP of 4.41, 4 rotatable bonds, 1 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-methylthiophene-3-sulfonamide is sourced from PubChem (CID 46392966), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).