2-cycloheptyl-N-(4-methyl-5-sulfamoyl-1,3-thiazol-2-yl)acetamide

C13H21N3O3S2 — CID 114458264

IUPAC2-cycloheptyl-N-(4-methyl-5-sulfamoyl-1,3-thiazol-2-yl)acetamide
SMILESCc1nc(NC(=O)CC2CCCCCC2)sc1S(N)(=O)=O
InChIInChI=1S/C13H21N3O3S2/c1-9-12(21(14,18)19)20-13(15-9)16-11(17)8-10-6-4-2-3-5-7-10/h10H,2-8H2,1H3,(H2,14,18,19)(H,15,16,17)
InChIKeyLWOMHORBZLIMIT-UHFFFAOYSA-N
MW331.46 g/mol
LogP2.40
Rot. Bonds4

About 2-cycloheptyl-N-(4-methyl-5-sulfamoyl-1,3-thiazol-2-yl)acetamide

2-cycloheptyl-N-(4-methyl-5-sulfamoyl-1,3-thiazol-2-yl)acetamide (PubChem CID 114458264) has the molecular formula C13H21N3O3S2 and a molecular weight of 331.46 g/mol. Its IUPAC name is 2-cycloheptyl-N-(4-methyl-5-sulfamoyl-1,3-thiazol-2-yl)acetamide.

Molecular Properties

Compound Name2-cycloheptyl-N-(4-methyl-5-sulfamoyl-1,3-thiazol-2-yl)acetamide
PubChem CID114458264
Molecular FormulaC13H21N3O3S2
Molecular Weight331.46 g/mol
Exact Mass331.10
IUPAC Name2-cycloheptyl-N-(4-methyl-5-sulfamoyl-1,3-thiazol-2-yl)acetamide
SMILESCc1nc(NC(=O)CC2CCCCCC2)sc1S(N)(=O)=O
InChIInChI=1S/C13H21N3O3S2/c1-9-12(21(14,18)19)20-13(15-9)16-11(17)8-10-6-4-2-3-5-7-10/h10H,2-8H2,1H3,(H2,14,18,19)(H,15,16,17)
InChIKeyLWOMHORBZLIMIT-UHFFFAOYSA-N
XLogP2.40
TPSA102.15 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500331.46
LogP ≤ 52.40
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

2-[(2-cyclobutylacetyl)amino]-4-methyl-1,3-thiazole-5-sulfonyl chloride
CID 103162313
N-(4-methyl-5-sulfamoyl-1,3-thiazol-2-yl)oxane-4-carboxamide
CID 63945641
N-(4-methyl-5-sulfamoyl-1,3-thiazol-2-yl)oxolane-3-carboxamide
CID 63945642
2-cyclohexyl-N-(4-methyl-1,3-benzothiazol-2-yl)acetamide
CID 43952212
N-(1,3-benzothiazol-2-yl)-2-cyclohexylacetamide
CID 806702
N-(4-acetyl-1,3-thiazol-2-yl)-2-cycloheptylacetamide
CID 115681438
N-(4-acetyl-1,3-thiazol-2-yl)-2-cyclohexylacetamide
CID 60717010
2-(cyclopropylsulfonylamino)-4-methyl-1,3-thiazole-5-sulfonamide
CID 64553272
2-cyclopentyl-N-(5-propan-2-yl-1,3,4-thiadiazol-2-yl)acetamide
CID 47120464
2-[(2-cyclohexylacetyl)amino]-7-oxo-5,6-dihydro-4H-1,3-benzothiazole-5-carboxylic acid
CID 118760152
N-(5-butyl-1,3,4-thiadiazol-2-yl)-2-cyclohexylacetamide
CID 52896832
2-cyclopentyl-N-(4-methylpyrimidin-2-yl)acetamide
CID 167838726

Frequently Asked Questions

What is the IUPAC name of 2-cycloheptyl-N-(4-methyl-5-sulfamoyl-1,3-thiazol-2-yl)acetamide?
The IUPAC name of 2-cycloheptyl-N-(4-methyl-5-sulfamoyl-1,3-thiazol-2-yl)acetamide (CID 114458264) is 2-cycloheptyl-N-(4-methyl-5-sulfamoyl-1,3-thiazol-2-yl)acetamide.
What is the SMILES notation for 2-cycloheptyl-N-(4-methyl-5-sulfamoyl-1,3-thiazol-2-yl)acetamide?
The canonical SMILES for 2-cycloheptyl-N-(4-methyl-5-sulfamoyl-1,3-thiazol-2-yl)acetamide is Cc1nc(NC(=O)CC2CCCCCC2)sc1S(N)(=O)=O.
What is the InChIKey of 2-cycloheptyl-N-(4-methyl-5-sulfamoyl-1,3-thiazol-2-yl)acetamide?
The InChIKey is LWOMHORBZLIMIT-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H21N3O3S2/c1-9-12(21(14,18)19)20-13(15-9)16-11(17)8-10-6-4-2-3-5-7-10/h10H,2-8H2,1H3,(H2,14,18,19)(H,15,16,17).
What are the key properties of 2-cycloheptyl-N-(4-methyl-5-sulfamoyl-1,3-thiazol-2-yl)acetamide?
2-cycloheptyl-N-(4-methyl-5-sulfamoyl-1,3-thiazol-2-yl)acetamide has a molecular weight of 331.46 g/mol, XLogP of 2.40, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-cycloheptyl-N-(4-methyl-5-sulfamoyl-1,3-thiazol-2-yl)acetamide is sourced from PubChem (CID 114458264), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).