N-[4-[4-(methanesulfonamido)phenyl]-1,3-thiazol-2-yl]-1-benzothiophene-2-carboxamide

C19H15N3O3S3 — CID 24568455

IUPACN-[4-[4-(methanesulfonamido)phenyl]-1,3-thiazol-2-yl]-1-benzothiophene-2-carboxamide
SMILESCS(=O)(=O)Nc1ccc(-c2csc(NC(=O)c3cc4ccccc4s3)n2)cc1
InChIInChI=1S/C19H15N3O3S3/c1-28(24,25)22-14-8-6-12(7-9-14)15-11-26-19(20-15)21-18(23)17-10-13-4-2-3-5-16(13)27-17/h2-11,22H,1H3,(H,20,21,23)
InChIKeyXNJLUXBSNBUAKY-UHFFFAOYSA-N
MW429.55 g/mol
LogP4.65
Rot. Bonds5

About N-[4-[4-(methanesulfonamido)phenyl]-1,3-thiazol-2-yl]-1-benzothiophene-2-carboxamide

N-[4-[4-(methanesulfonamido)phenyl]-1,3-thiazol-2-yl]-1-benzothiophene-2-carboxamide (PubChem CID 24568455) has the molecular formula C19H15N3O3S3 and a molecular weight of 429.55 g/mol. Its IUPAC name is N-[4-[4-(methanesulfonamido)phenyl]-1,3-thiazol-2-yl]-1-benzothiophene-2-carboxamide.

Molecular Properties

Compound NameN-[4-[4-(methanesulfonamido)phenyl]-1,3-thiazol-2-yl]-1-benzothiophene-2-carboxamide
PubChem CID24568455
Molecular FormulaC19H15N3O3S3
Molecular Weight429.55 g/mol
Exact Mass429.03
IUPAC NameN-[4-[4-(methanesulfonamido)phenyl]-1,3-thiazol-2-yl]-1-benzothiophene-2-carboxamide
SMILESCS(=O)(=O)Nc1ccc(-c2csc(NC(=O)c3cc4ccccc4s3)n2)cc1
InChIInChI=1S/C19H15N3O3S3/c1-28(24,25)22-14-8-6-12(7-9-14)15-11-26-19(20-15)21-18(23)17-10-13-4-2-3-5-16(13)27-17/h2-11,22H,1H3,(H,20,21,23)
InChIKeyXNJLUXBSNBUAKY-UHFFFAOYSA-N
XLogP4.65
TPSA88.16 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500429.55
LogP ≤ 54.65
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Analyze N-[4-[4-(methanesulfonamido)phenyl]-1,3-thiazol-2-yl]-1-benzothiophene-2-carboxamide 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

N-[4-[4-(methanesulfonamido)phenyl]-1,3-thiazol-2-yl]-2-naphthalen-2-ylacetamide
CID 24568361
2-amino-N-[4-[4-(methanesulfonamido)phenyl]-1,3-thiazol-2-yl]-2-methylpropanamide
CID 120552976
3-(methanesulfonamido)-N-(4-phenyl-1,3-thiazol-2-yl)benzamide
CID 18127523
5-nitro-N-(4-phenyl-1,3-thiazol-2-yl)-1-benzothiophene-2-carboxamide
CID 4175471
N-[4-(2-anilino-1,3-thiazol-4-yl)phenyl]methanesulfonamide
CID 9330073
N-[3-[[4-[4-(methanesulfonamido)phenyl]-1,3-thiazol-2-yl]amino]-3-oxopropyl]naphthalene-2-carboxamide
CID 46573515
N-[4-(3-fluorophenyl)-1,3-thiazol-2-yl]-4-(methanesulfonamido)benzamide
CID 51112118
N-[4-[4-(methanesulfonamido)phenyl]-1,3-thiazol-2-yl]-7-nitro-1H-indole-2-carboxamide
CID 55821823
N-[4-[4-(methanesulfonamido)phenyl]-1,3-thiazol-2-yl]-2-(4-methylphenyl)acetamide
CID 24568469
N-[4-(chloromethyl)-1,3-thiazol-2-yl]-1-benzothiophene-2-carboxamide
CID 61406615
N-[4-[4-(methanesulfonamido)phenyl]-1,3-thiazol-2-yl]-3-(5-phenylfuran-2-yl)propanamide
CID 46667755
N-[(1R)-1-[3-(methanesulfonamido)phenyl]ethyl]-1-benzothiophene-2-carboxamide
CID 51942414

Frequently Asked Questions

What is the IUPAC name of N-[4-[4-(methanesulfonamido)phenyl]-1,3-thiazol-2-yl]-1-benzothiophene-2-carboxamide?
The IUPAC name of N-[4-[4-(methanesulfonamido)phenyl]-1,3-thiazol-2-yl]-1-benzothiophene-2-carboxamide (CID 24568455) is N-[4-[4-(methanesulfonamido)phenyl]-1,3-thiazol-2-yl]-1-benzothiophene-2-carboxamide.
What is the SMILES notation for N-[4-[4-(methanesulfonamido)phenyl]-1,3-thiazol-2-yl]-1-benzothiophene-2-carboxamide?
The canonical SMILES for N-[4-[4-(methanesulfonamido)phenyl]-1,3-thiazol-2-yl]-1-benzothiophene-2-carboxamide is CS(=O)(=O)Nc1ccc(-c2csc(NC(=O)c3cc4ccccc4s3)n2)cc1.
What is the InChIKey of N-[4-[4-(methanesulfonamido)phenyl]-1,3-thiazol-2-yl]-1-benzothiophene-2-carboxamide?
The InChIKey is XNJLUXBSNBUAKY-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H15N3O3S3/c1-28(24,25)22-14-8-6-12(7-9-14)15-11-26-19(20-15)21-18(23)17-10-13-4-2-3-5-16(13)27-17/h2-11,22H,1H3,(H,20,21,23).
What are the key properties of N-[4-[4-(methanesulfonamido)phenyl]-1,3-thiazol-2-yl]-1-benzothiophene-2-carboxamide?
N-[4-[4-(methanesulfonamido)phenyl]-1,3-thiazol-2-yl]-1-benzothiophene-2-carboxamide has a molecular weight of 429.55 g/mol, XLogP of 4.65, 5 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-[4-(methanesulfonamido)phenyl]-1,3-thiazol-2-yl]-1-benzothiophene-2-carboxamide is sourced from PubChem (CID 24568455), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).