N-(cyclohexylmethyl)-5-(4-ethyl-1,3-thiazol-2-yl)thiophene-2-sulfonamide

C16H22N2O2S3 — CID 50846699

IUPACN-(cyclohexylmethyl)-5-(4-ethyl-1,3-thiazol-2-yl)thiophene-2-sulfonamide
SMILESCCc1csc(-c2ccc(S(=O)(=O)NCC3CCCCC3)s2)n1
InChIInChI=1S/C16H22N2O2S3/c1-2-13-11-21-16(18-13)14-8-9-15(22-14)23(19,20)17-10-12-6-4-3-5-7-12/h8-9,11-12,17H,2-7,10H2,1H3
InChIKeyQNYXLHZDJIGLMY-UHFFFAOYSA-N
MW370.57 g/mol
LogP4.29
Rot. Bonds6

About N-(cyclohexylmethyl)-5-(4-ethyl-1,3-thiazol-2-yl)thiophene-2-sulfonamide

N-(cyclohexylmethyl)-5-(4-ethyl-1,3-thiazol-2-yl)thiophene-2-sulfonamide (PubChem CID 50846699) has the molecular formula C16H22N2O2S3 and a molecular weight of 370.57 g/mol. Its IUPAC name is N-(cyclohexylmethyl)-5-(4-ethyl-1,3-thiazol-2-yl)thiophene-2-sulfonamide.

Molecular Properties

Compound NameN-(cyclohexylmethyl)-5-(4-ethyl-1,3-thiazol-2-yl)thiophene-2-sulfonamide
PubChem CID50846699
Molecular FormulaC16H22N2O2S3
Molecular Weight370.57 g/mol
Exact Mass370.08
IUPAC NameN-(cyclohexylmethyl)-5-(4-ethyl-1,3-thiazol-2-yl)thiophene-2-sulfonamide
SMILESCCc1csc(-c2ccc(S(=O)(=O)NCC3CCCCC3)s2)n1
InChIInChI=1S/C16H22N2O2S3/c1-2-13-11-21-16(18-13)14-8-9-15(22-14)23(19,20)17-10-12-6-4-3-5-7-12/h8-9,11-12,17H,2-7,10H2,1H3
InChIKeyQNYXLHZDJIGLMY-UHFFFAOYSA-N
XLogP4.29
TPSA59.06 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500370.57
LogP ≤ 54.29
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-(cyclohexylmethyl)-5-(4-ethyl-1,3-thiazol-2-yl)thiophene-2-sulfonamide?
The IUPAC name of N-(cyclohexylmethyl)-5-(4-ethyl-1,3-thiazol-2-yl)thiophene-2-sulfonamide (CID 50846699) is N-(cyclohexylmethyl)-5-(4-ethyl-1,3-thiazol-2-yl)thiophene-2-sulfonamide.
What is the SMILES notation for N-(cyclohexylmethyl)-5-(4-ethyl-1,3-thiazol-2-yl)thiophene-2-sulfonamide?
The canonical SMILES for N-(cyclohexylmethyl)-5-(4-ethyl-1,3-thiazol-2-yl)thiophene-2-sulfonamide is CCc1csc(-c2ccc(S(=O)(=O)NCC3CCCCC3)s2)n1.
What is the InChIKey of N-(cyclohexylmethyl)-5-(4-ethyl-1,3-thiazol-2-yl)thiophene-2-sulfonamide?
The InChIKey is QNYXLHZDJIGLMY-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H22N2O2S3/c1-2-13-11-21-16(18-13)14-8-9-15(22-14)23(19,20)17-10-12-6-4-3-5-7-12/h8-9,11-12,17H,2-7,10H2,1H3.
What are the key properties of N-(cyclohexylmethyl)-5-(4-ethyl-1,3-thiazol-2-yl)thiophene-2-sulfonamide?
N-(cyclohexylmethyl)-5-(4-ethyl-1,3-thiazol-2-yl)thiophene-2-sulfonamide has a molecular weight of 370.57 g/mol, XLogP of 4.29, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(cyclohexylmethyl)-5-(4-ethyl-1,3-thiazol-2-yl)thiophene-2-sulfonamide is sourced from PubChem (CID 50846699), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).