4-(4-tert-butyl-1,3-thiazol-2-yl)-N-[(3-methoxyphenyl)methyl]thiophene-2-sulfonamide

C19H22N2O3S3 — CID 53133541

IUPAC4-(4-tert-butyl-1,3-thiazol-2-yl)-N-[(3-methoxyphenyl)methyl]thiophene-2-sulfonamide
SMILESCOc1cccc(CNS(=O)(=O)c2cc(-c3nc(C(C)(C)C)cs3)cs2)c1
InChIInChI=1S/C19H22N2O3S3/c1-19(2,3)16-12-26-18(21-16)14-9-17(25-11-14)27(22,23)20-10-13-6-5-7-15(8-13)24-4/h5-9,11-12,20H,10H2,1-4H3
InChIKeyOBBSOCCRALUIDA-UHFFFAOYSA-N
MW422.60 g/mol
LogP4.66
Rot. Bonds6

About 4-(4-tert-butyl-1,3-thiazol-2-yl)-N-[(3-methoxyphenyl)methyl]thiophene-2-sulfonamide

4-(4-tert-butyl-1,3-thiazol-2-yl)-N-[(3-methoxyphenyl)methyl]thiophene-2-sulfonamide (PubChem CID 53133541) has the molecular formula C19H22N2O3S3 and a molecular weight of 422.60 g/mol. Its IUPAC name is 4-(4-tert-butyl-1,3-thiazol-2-yl)-N-[(3-methoxyphenyl)methyl]thiophene-2-sulfonamide.

Molecular Properties

Compound Name4-(4-tert-butyl-1,3-thiazol-2-yl)-N-[(3-methoxyphenyl)methyl]thiophene-2-sulfonamide
PubChem CID53133541
Molecular FormulaC19H22N2O3S3
Molecular Weight422.60 g/mol
Exact Mass422.08
IUPAC Name4-(4-tert-butyl-1,3-thiazol-2-yl)-N-[(3-methoxyphenyl)methyl]thiophene-2-sulfonamide
SMILESCOc1cccc(CNS(=O)(=O)c2cc(-c3nc(C(C)(C)C)cs3)cs2)c1
InChIInChI=1S/C19H22N2O3S3/c1-19(2,3)16-12-26-18(21-16)14-9-17(25-11-14)27(22,23)20-10-13-6-5-7-15(8-13)24-4/h5-9,11-12,20H,10H2,1-4H3
InChIKeyOBBSOCCRALUIDA-UHFFFAOYSA-N
XLogP4.66
TPSA68.29 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500422.60
LogP ≤ 54.66
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze 4-(4-tert-butyl-1,3-thiazol-2-yl)-N-[(3-methoxyphenyl)methyl]thiophene-2-sulfonamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

4-(4-tert-butyl-1,3-thiazol-2-yl)-N-(3-methoxyphenyl)thiophene-2-sulfonamide
CID 50839340
4-(4-tert-butyl-1,3-thiazol-2-yl)-N-[(4-propan-2-ylphenyl)methyl]thiophene-2-sulfonamide
CID 50839245
4-[3-(3-fluorophenyl)-1,2,4-oxadiazol-5-yl]-N-[(3-methoxyphenyl)methyl]thiophene-2-sulfonamide
CID 53126909
N-benzyl-4-(4-propan-2-yl-1,3-thiazol-2-yl)thiophene-2-sulfonamide
CID 50839010
N-[(3-methoxyphenyl)methyl]-4-[5-(pyrrolidine-1-carbonyl)-1,3,4-oxadiazol-2-yl]thiophene-2-sulfonamide
CID 53127446
3-amino-4-chloro-N-[(3-methoxyphenyl)methyl]benzenesulfonamide
CID 61028920
3-amino-N-[(3-methoxyphenyl)methyl]benzenesulfonamide
CID 61028648
4-bromo-N-[(4-methoxyphenyl)methyl]thiophene-2-sulfonamide
CID 110678457
4-amino-N-[2-(3-methoxyphenyl)ethyl]thiophene-2-sulfonamide
CID 107843596
2-(3-methoxyphenyl)-4-(trifluoromethyl)-1,3-thiazole
CID 68669610
N-[(3-methoxyphenyl)methyl]-3,5-dimethyl-1,2-oxazole-4-sulfonamide
CID 3387315
N-[(3-methoxyphenyl)methyl]-2-methyl-5-methylsulfonylbenzenesulfonamide
CID 55915793

Frequently Asked Questions

What is the IUPAC name of 4-(4-tert-butyl-1,3-thiazol-2-yl)-N-[(3-methoxyphenyl)methyl]thiophene-2-sulfonamide?
The IUPAC name of 4-(4-tert-butyl-1,3-thiazol-2-yl)-N-[(3-methoxyphenyl)methyl]thiophene-2-sulfonamide (CID 53133541) is 4-(4-tert-butyl-1,3-thiazol-2-yl)-N-[(3-methoxyphenyl)methyl]thiophene-2-sulfonamide.
What is the SMILES notation for 4-(4-tert-butyl-1,3-thiazol-2-yl)-N-[(3-methoxyphenyl)methyl]thiophene-2-sulfonamide?
The canonical SMILES for 4-(4-tert-butyl-1,3-thiazol-2-yl)-N-[(3-methoxyphenyl)methyl]thiophene-2-sulfonamide is COc1cccc(CNS(=O)(=O)c2cc(-c3nc(C(C)(C)C)cs3)cs2)c1.
What is the InChIKey of 4-(4-tert-butyl-1,3-thiazol-2-yl)-N-[(3-methoxyphenyl)methyl]thiophene-2-sulfonamide?
The InChIKey is OBBSOCCRALUIDA-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H22N2O3S3/c1-19(2,3)16-12-26-18(21-16)14-9-17(25-11-14)27(22,23)20-10-13-6-5-7-15(8-13)24-4/h5-9,11-12,20H,10H2,1-4H3.
What are the key properties of 4-(4-tert-butyl-1,3-thiazol-2-yl)-N-[(3-methoxyphenyl)methyl]thiophene-2-sulfonamide?
4-(4-tert-butyl-1,3-thiazol-2-yl)-N-[(3-methoxyphenyl)methyl]thiophene-2-sulfonamide has a molecular weight of 422.60 g/mol, XLogP of 4.66, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(4-tert-butyl-1,3-thiazol-2-yl)-N-[(3-methoxyphenyl)methyl]thiophene-2-sulfonamide is sourced from PubChem (CID 53133541), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).