N-benzyl-4-(4-propan-2-yl-1,3-thiazol-2-yl)thiophene-2-sulfonamide

C17H18N2O2S3 — CID 50839010

IUPACN-benzyl-4-(4-propan-2-yl-1,3-thiazol-2-yl)thiophene-2-sulfonamide
SMILESCC(C)c1csc(-c2csc(S(=O)(=O)NCc3ccccc3)c2)n1
InChIInChI=1S/C17H18N2O2S3/c1-12(2)15-11-23-17(19-15)14-8-16(22-10-14)24(20,21)18-9-13-6-4-3-5-7-13/h3-8,10-12,18H,9H2,1-2H3
InChIKeyZGYCJCPARKJWQC-UHFFFAOYSA-N
MW378.54 g/mol
LogP4.47
Rot. Bonds6

About N-benzyl-4-(4-propan-2-yl-1,3-thiazol-2-yl)thiophene-2-sulfonamide

N-benzyl-4-(4-propan-2-yl-1,3-thiazol-2-yl)thiophene-2-sulfonamide (PubChem CID 50839010) has the molecular formula C17H18N2O2S3 and a molecular weight of 378.54 g/mol. Its IUPAC name is N-benzyl-4-(4-propan-2-yl-1,3-thiazol-2-yl)thiophene-2-sulfonamide.

Molecular Properties

Compound NameN-benzyl-4-(4-propan-2-yl-1,3-thiazol-2-yl)thiophene-2-sulfonamide
PubChem CID50839010
Molecular FormulaC17H18N2O2S3
Molecular Weight378.54 g/mol
Exact Mass378.05
IUPAC NameN-benzyl-4-(4-propan-2-yl-1,3-thiazol-2-yl)thiophene-2-sulfonamide
SMILESCC(C)c1csc(-c2csc(S(=O)(=O)NCc3ccccc3)c2)n1
InChIInChI=1S/C17H18N2O2S3/c1-12(2)15-11-23-17(19-15)14-8-16(22-10-14)24(20,21)18-9-13-6-4-3-5-7-13/h3-8,10-12,18H,9H2,1-2H3
InChIKeyZGYCJCPARKJWQC-UHFFFAOYSA-N
XLogP4.47
TPSA59.06 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500378.54
LogP ≤ 54.47
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-[(2-chlorophenyl)methyl]-4-(4-propan-2-yl-1,3-thiazol-2-yl)thiophene-2-sulfonamide
CID 50839136
N-benzyl-2-methyl-5-(4-propan-2-yl-1,3-thiazol-2-yl)thiophene-3-sulfonamide
CID 50835233
4-(4-tert-butyl-1,3-thiazol-2-yl)-N-[(4-propan-2-ylphenyl)methyl]thiophene-2-sulfonamide
CID 50839245
4-(4-tert-butyl-1,3-thiazol-2-yl)-N-[(3-methoxyphenyl)methyl]thiophene-2-sulfonamide
CID 53133541
N-benzyl-4-[3-(4-chlorophenyl)-1,2,4-oxadiazol-5-yl]thiophene-2-sulfonamide
CID 53126844
1-phenyl-N-[(4-propan-2-yl-1,3-thiazol-2-yl)methyl]methanesulfonamide
CID 110446173
N-[[3-(4-methyl-1,3-thiazol-2-yl)phenyl]methyl]benzenesulfonamide
CID 54774062
N-benzyl-4-propan-2-yl-1,3-thiazol-2-amine
CID 21355599
N-(2-methylphenyl)-4-[4-(2-methylpropyl)-1,3-thiazol-2-yl]thiophene-2-sulfonamide
CID 50839138
[3-(4-propan-2-yl-1,3-thiazol-2-yl)phenyl]methanamine;hydrochloride
CID 120558532
N-[(3-methylphenyl)methyl]-4-(6-oxo-1H-pyridazin-3-yl)thiophene-2-sulfonamide
CID 53134955
N-phenyl-5-(4-propan-2-yl-1,3-thiazol-2-yl)thiophene-2-sulfonamide
CID 50846960

Frequently Asked Questions

What is the IUPAC name of N-benzyl-4-(4-propan-2-yl-1,3-thiazol-2-yl)thiophene-2-sulfonamide?
The IUPAC name of N-benzyl-4-(4-propan-2-yl-1,3-thiazol-2-yl)thiophene-2-sulfonamide (CID 50839010) is N-benzyl-4-(4-propan-2-yl-1,3-thiazol-2-yl)thiophene-2-sulfonamide.
What is the SMILES notation for N-benzyl-4-(4-propan-2-yl-1,3-thiazol-2-yl)thiophene-2-sulfonamide?
The canonical SMILES for N-benzyl-4-(4-propan-2-yl-1,3-thiazol-2-yl)thiophene-2-sulfonamide is CC(C)c1csc(-c2csc(S(=O)(=O)NCc3ccccc3)c2)n1.
What is the InChIKey of N-benzyl-4-(4-propan-2-yl-1,3-thiazol-2-yl)thiophene-2-sulfonamide?
The InChIKey is ZGYCJCPARKJWQC-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H18N2O2S3/c1-12(2)15-11-23-17(19-15)14-8-16(22-10-14)24(20,21)18-9-13-6-4-3-5-7-13/h3-8,10-12,18H,9H2,1-2H3.
What are the key properties of N-benzyl-4-(4-propan-2-yl-1,3-thiazol-2-yl)thiophene-2-sulfonamide?
N-benzyl-4-(4-propan-2-yl-1,3-thiazol-2-yl)thiophene-2-sulfonamide has a molecular weight of 378.54 g/mol, XLogP of 4.47, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-benzyl-4-(4-propan-2-yl-1,3-thiazol-2-yl)thiophene-2-sulfonamide is sourced from PubChem (CID 50839010), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).