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

C13H17N3O3S3 — CID 56910011

IUPACN-methyl-4-sulfamoyl-N-[(2-thiophen-2-yl-1,3-thiazol-4-yl)methyl]butanamide
SMILESCN(Cc1csc(-c2cccs2)n1)C(=O)CCCS(N)(=O)=O
InChIInChI=1S/C13H17N3O3S3/c1-16(12(17)5-3-7-22(14,18)19)8-10-9-21-13(15-10)11-4-2-6-20-11/h2,4,6,9H,3,5,7-8H2,1H3,(H2,14,18,19)
InChIKeyVKNMEBBZOZLHEC-UHFFFAOYSA-N
MW359.50 g/mol
LogP1.90
Rot. Bonds7

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

N-methyl-4-sulfamoyl-N-[(2-thiophen-2-yl-1,3-thiazol-4-yl)methyl]butanamide (PubChem CID 56910011) has the molecular formula C13H17N3O3S3 and a molecular weight of 359.50 g/mol. Its IUPAC name is N-methyl-4-sulfamoyl-N-[(2-thiophen-2-yl-1,3-thiazol-4-yl)methyl]butanamide.

Molecular Properties

Compound NameN-methyl-4-sulfamoyl-N-[(2-thiophen-2-yl-1,3-thiazol-4-yl)methyl]butanamide
PubChem CID56910011
Molecular FormulaC13H17N3O3S3
Molecular Weight359.50 g/mol
Exact Mass359.04
IUPAC NameN-methyl-4-sulfamoyl-N-[(2-thiophen-2-yl-1,3-thiazol-4-yl)methyl]butanamide
SMILESCN(Cc1csc(-c2cccs2)n1)C(=O)CCCS(N)(=O)=O
InChIInChI=1S/C13H17N3O3S3/c1-16(12(17)5-3-7-22(14,18)19)8-10-9-21-13(15-10)11-4-2-6-20-11/h2,4,6,9H,3,5,7-8H2,1H3,(H2,14,18,19)
InChIKeyVKNMEBBZOZLHEC-UHFFFAOYSA-N
XLogP1.90
TPSA93.36 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500359.50
LogP ≤ 51.90
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

N-methyl-2-methylsulfanyl-N-[(2-thiophen-2-yl-1,3-thiazol-4-yl)methyl]acetamide
CID 70728476
N,4-dimethyl-N-[(2-thiophen-2-yl-1,3-thiazol-4-yl)methyl]-1,2,5-oxadiazole-3-carboxamide
CID 70754339
N,5-dimethyl-N-[(2-thiophen-2-yl-1,3-thiazol-4-yl)methyl]thiophene-3-carboxamide
CID 70730335
N-(1H-imidazol-2-ylmethyl)-N-methyl-2-(2-thiophen-2-yl-1,3-thiazol-4-yl)acetamide
CID 63929532
N,4-dimethyl-N-[(2-thiophen-2-yl-1,3-thiazol-4-yl)methyl]benzenesulfonamide
CID 166181462
N,1-dimethyl-6-oxo-N-[(2-thiophen-2-yl-1,3-thiazol-4-yl)methyl]pyridine-3-carboxamide
CID 70782274
N-[(4-cyanophenyl)methyl]-N-methyl-2-(2-thiophen-2-yl-1,3-thiazol-4-yl)acetamide
CID 39860098
N-methyl-4-sulfamoyl-N-(1-thiophen-2-ylethyl)butanamide
CID 56751582
N-methyl-3-[2-[(4-methylphenyl)methyl]-5-oxopyrrolidin-2-yl]-N-[(2-thiophen-2-yl-1,3-thiazol-4-yl)methyl]propanamide
CID 45211592
2-(ethylamino)-N,4-dimethyl-N-[(2-thiophen-2-yl-1,3-thiazol-4-yl)methyl]-1,3-thiazole-5-carboxamide
CID 56917368
N-methyl-N-[(2-thiophen-2-yl-1,3-thiazol-4-yl)methyl]-2,3-dihydro-1-benzofuran-2-carboxamide
CID 70774862
2-methoxy-N,4-dimethyl-N-[(2-thiophen-2-yl-1,3-thiazol-4-yl)methyl]-1,3-thiazole-5-carboxamide
CID 70744145

Frequently Asked Questions

What is the IUPAC name of N-methyl-4-sulfamoyl-N-[(2-thiophen-2-yl-1,3-thiazol-4-yl)methyl]butanamide?
The IUPAC name of N-methyl-4-sulfamoyl-N-[(2-thiophen-2-yl-1,3-thiazol-4-yl)methyl]butanamide (CID 56910011) is N-methyl-4-sulfamoyl-N-[(2-thiophen-2-yl-1,3-thiazol-4-yl)methyl]butanamide.
What is the SMILES notation for N-methyl-4-sulfamoyl-N-[(2-thiophen-2-yl-1,3-thiazol-4-yl)methyl]butanamide?
The canonical SMILES for N-methyl-4-sulfamoyl-N-[(2-thiophen-2-yl-1,3-thiazol-4-yl)methyl]butanamide is CN(Cc1csc(-c2cccs2)n1)C(=O)CCCS(N)(=O)=O.
What is the InChIKey of N-methyl-4-sulfamoyl-N-[(2-thiophen-2-yl-1,3-thiazol-4-yl)methyl]butanamide?
The InChIKey is VKNMEBBZOZLHEC-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17N3O3S3/c1-16(12(17)5-3-7-22(14,18)19)8-10-9-21-13(15-10)11-4-2-6-20-11/h2,4,6,9H,3,5,7-8H2,1H3,(H2,14,18,19).
What are the key properties of N-methyl-4-sulfamoyl-N-[(2-thiophen-2-yl-1,3-thiazol-4-yl)methyl]butanamide?
N-methyl-4-sulfamoyl-N-[(2-thiophen-2-yl-1,3-thiazol-4-yl)methyl]butanamide has a molecular weight of 359.50 g/mol, XLogP of 1.90, 7 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-4-sulfamoyl-N-[(2-thiophen-2-yl-1,3-thiazol-4-yl)methyl]butanamide is sourced from PubChem (CID 56910011), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).