N-[5-[5-[(4-hydroxycyclohexyl)sulfamoyl]thiophen-3-yl]-4-methyl-1,3-thiazol-2-yl]acetamide

C16H21N3O4S3 — CID 11998793

IUPACN-[5-[5-[(4-hydroxycyclohexyl)sulfamoyl]thiophen-3-yl]-4-methyl-1,3-thiazol-2-yl]acetamide
SMILESCC(=O)Nc1nc(C)c(-c2csc(S(=O)(=O)NC3CCC(O)CC3)c2)s1
InChIInChI=1S/C16H21N3O4S3/c1-9-15(25-16(17-9)18-10(2)20)11-7-14(24-8-11)26(22,23)19-12-3-5-13(21)6-4-12/h7-8,12-13,19,21H,3-6H2,1-2H3,(H,17,18,20)
InChIKeyYAPVIFOKPYPTNN-UHFFFAOYSA-N
MW415.56 g/mol
LogP2.72
Rot. Bonds5

About N-[5-[5-[(4-hydroxycyclohexyl)sulfamoyl]thiophen-3-yl]-4-methyl-1,3-thiazol-2-yl]acetamide

N-[5-[5-[(4-hydroxycyclohexyl)sulfamoyl]thiophen-3-yl]-4-methyl-1,3-thiazol-2-yl]acetamide (PubChem CID 11998793) has the molecular formula C16H21N3O4S3 and a molecular weight of 415.56 g/mol. Its IUPAC name is N-[5-[5-[(4-hydroxycyclohexyl)sulfamoyl]thiophen-3-yl]-4-methyl-1,3-thiazol-2-yl]acetamide.

Molecular Properties

Compound NameN-[5-[5-[(4-hydroxycyclohexyl)sulfamoyl]thiophen-3-yl]-4-methyl-1,3-thiazol-2-yl]acetamide
PubChem CID11998793
Molecular FormulaC16H21N3O4S3
Molecular Weight415.56 g/mol
Exact Mass415.07
IUPAC NameN-[5-[5-[(4-hydroxycyclohexyl)sulfamoyl]thiophen-3-yl]-4-methyl-1,3-thiazol-2-yl]acetamide
SMILESCC(=O)Nc1nc(C)c(-c2csc(S(=O)(=O)NC3CCC(O)CC3)c2)s1
InChIInChI=1S/C16H21N3O4S3/c1-9-15(25-16(17-9)18-10(2)20)11-7-14(24-8-11)26(22,23)19-12-3-5-13(21)6-4-12/h7-8,12-13,19,21H,3-6H2,1-2H3,(H,17,18,20)
InChIKeyYAPVIFOKPYPTNN-UHFFFAOYSA-N
XLogP2.72
TPSA108.39 Ų
H-Bond Donors3
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500415.56
LogP ≤ 52.72
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of N-[5-[5-[(4-hydroxycyclohexyl)sulfamoyl]thiophen-3-yl]-4-methyl-1,3-thiazol-2-yl]acetamide?
The IUPAC name of N-[5-[5-[(4-hydroxycyclohexyl)sulfamoyl]thiophen-3-yl]-4-methyl-1,3-thiazol-2-yl]acetamide (CID 11998793) is N-[5-[5-[(4-hydroxycyclohexyl)sulfamoyl]thiophen-3-yl]-4-methyl-1,3-thiazol-2-yl]acetamide.
What is the SMILES notation for N-[5-[5-[(4-hydroxycyclohexyl)sulfamoyl]thiophen-3-yl]-4-methyl-1,3-thiazol-2-yl]acetamide?
The canonical SMILES for N-[5-[5-[(4-hydroxycyclohexyl)sulfamoyl]thiophen-3-yl]-4-methyl-1,3-thiazol-2-yl]acetamide is CC(=O)Nc1nc(C)c(-c2csc(S(=O)(=O)NC3CCC(O)CC3)c2)s1.
What is the InChIKey of N-[5-[5-[(4-hydroxycyclohexyl)sulfamoyl]thiophen-3-yl]-4-methyl-1,3-thiazol-2-yl]acetamide?
The InChIKey is YAPVIFOKPYPTNN-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H21N3O4S3/c1-9-15(25-16(17-9)18-10(2)20)11-7-14(24-8-11)26(22,23)19-12-3-5-13(21)6-4-12/h7-8,12-13,19,21H,3-6H2,1-2H3,(H,17,18,20).
What are the key properties of N-[5-[5-[(4-hydroxycyclohexyl)sulfamoyl]thiophen-3-yl]-4-methyl-1,3-thiazol-2-yl]acetamide?
N-[5-[5-[(4-hydroxycyclohexyl)sulfamoyl]thiophen-3-yl]-4-methyl-1,3-thiazol-2-yl]acetamide has a molecular weight of 415.56 g/mol, XLogP of 2.72, 5 rotatable bonds, 3 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[5-[5-[(4-hydroxycyclohexyl)sulfamoyl]thiophen-3-yl]-4-methyl-1,3-thiazol-2-yl]acetamide is sourced from PubChem (CID 11998793), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).