N-[4-[(5,6-dihydro-4H-cyclopenta[b]thiophene-2-carbonylamino)carbamoyl]phenyl]thiophene-2-sulfonamide

C19H17N3O4S3 — CID 26872757

IUPACN-[4-[(5,6-dihydro-4H-cyclopenta[b]thiophene-2-carbonylamino)carbamoyl]phenyl]thiophene-2-sulfonamide
SMILESO=C(NNC(=O)c1cc2c(s1)CCC2)c1ccc(NS(=O)(=O)c2cccs2)cc1
InChIInChI=1S/C19H17N3O4S3/c23-18(20-21-19(24)16-11-13-3-1-4-15(13)28-16)12-6-8-14(9-7-12)22-29(25,26)17-5-2-10-27-17/h2,5-11,22H,1,3-4H2,(H,20,23)(H,21,24)
InChIKeyPUOMZSRKJGZWTL-UHFFFAOYSA-N
MW447.56 g/mol
LogP3.17
Rot. Bonds5

About N-[4-[(5,6-dihydro-4H-cyclopenta[b]thiophene-2-carbonylamino)carbamoyl]phenyl]thiophene-2-sulfonamide

N-[4-[(5,6-dihydro-4H-cyclopenta[b]thiophene-2-carbonylamino)carbamoyl]phenyl]thiophene-2-sulfonamide (PubChem CID 26872757) has the molecular formula C19H17N3O4S3 and a molecular weight of 447.56 g/mol. Its IUPAC name is N-[4-[(5,6-dihydro-4H-cyclopenta[b]thiophene-2-carbonylamino)carbamoyl]phenyl]thiophene-2-sulfonamide.

Molecular Properties

Compound NameN-[4-[(5,6-dihydro-4H-cyclopenta[b]thiophene-2-carbonylamino)carbamoyl]phenyl]thiophene-2-sulfonamide
PubChem CID26872757
Molecular FormulaC19H17N3O4S3
Molecular Weight447.56 g/mol
Exact Mass447.04
IUPAC NameN-[4-[(5,6-dihydro-4H-cyclopenta[b]thiophene-2-carbonylamino)carbamoyl]phenyl]thiophene-2-sulfonamide
SMILESO=C(NNC(=O)c1cc2c(s1)CCC2)c1ccc(NS(=O)(=O)c2cccs2)cc1
InChIInChI=1S/C19H17N3O4S3/c23-18(20-21-19(24)16-11-13-3-1-4-15(13)28-16)12-6-8-14(9-7-12)22-29(25,26)17-5-2-10-27-17/h2,5-11,22H,1,3-4H2,(H,20,23)(H,21,24)
InChIKeyPUOMZSRKJGZWTL-UHFFFAOYSA-N
XLogP3.17
TPSA104.37 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500447.56
LogP ≤ 53.17
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

Analyze N-[4-[(5,6-dihydro-4H-cyclopenta[b]thiophene-2-carbonylamino)carbamoyl]phenyl]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

N-[4-[(5,6-dihydro-4H-cyclopenta[b]thiophene-2-carbonylamino)carbamoyl]phenyl]-4-fluorobenzenesulfonamide
CID 27684840
N'-benzoyl-4,5,6,7,8,9-hexahydrocycloocta[b]thiophene-2-carbohydrazide
CID 26422783
N-[4-[[(5-bromofuran-2-carbonyl)amino]carbamoyl]phenyl]thiophene-2-sulfonamide
CID 4802460
3-[(5,6-dihydro-4H-cyclopenta[b]thiophene-2-carbonylamino)carbamoyl]-N-methylbenzenesulfonamide
CID 27684841
N-[4-[[(2,4-dioxo-1H-pyrimidine-6-carbonyl)amino]carbamoyl]phenyl]thiophene-2-sulfonamide
CID 2082661
3-[(5,6-dihydro-4H-cyclopenta[b]thiophene-2-carbonylamino)carbamoyl]-4-methyl-N-(4-methylphenyl)benzenesulfonamide
CID 24634813
N'-(4-fluorobenzoyl)-5,6,7,8-tetrahydro-4H-cyclohepta[b]thiophene-2-carbohydrazide
CID 7946141
N-[3-[(4,5,6,7,8,9-hexahydrocycloocta[b]thiophene-2-carbonylamino)carbamoyl]phenyl]methanesulfonamide
CID 25444396
N'-(1-thiophen-2-ylethenyl)-4,5,6,7-tetrahydro-1-benzothiophene-2-carbohydrazide
CID 2663641
N-[4-[[[(2S)-1-(thiophene-2-carbonyl)pyrrolidine-2-carbonyl]amino]carbamoyl]phenyl]thiophene-2-sulfonamide
CID 25340618
N-cyclopropyl-4-[(5,6,7,8-tetrahydro-4H-cyclohepta[b]thiophene-2-carbonylamino)carbamoyl]benzenesulfonamide
CID 31846647
N-[2-[(5,6,7,8-tetrahydronaphthalene-2-carbonylamino)carbamoyl]phenyl]thiophene-2-sulfonamide
CID 27698726

Frequently Asked Questions

What is the IUPAC name of N-[4-[(5,6-dihydro-4H-cyclopenta[b]thiophene-2-carbonylamino)carbamoyl]phenyl]thiophene-2-sulfonamide?
The IUPAC name of N-[4-[(5,6-dihydro-4H-cyclopenta[b]thiophene-2-carbonylamino)carbamoyl]phenyl]thiophene-2-sulfonamide (CID 26872757) is N-[4-[(5,6-dihydro-4H-cyclopenta[b]thiophene-2-carbonylamino)carbamoyl]phenyl]thiophene-2-sulfonamide.
What is the SMILES notation for N-[4-[(5,6-dihydro-4H-cyclopenta[b]thiophene-2-carbonylamino)carbamoyl]phenyl]thiophene-2-sulfonamide?
The canonical SMILES for N-[4-[(5,6-dihydro-4H-cyclopenta[b]thiophene-2-carbonylamino)carbamoyl]phenyl]thiophene-2-sulfonamide is O=C(NNC(=O)c1cc2c(s1)CCC2)c1ccc(NS(=O)(=O)c2cccs2)cc1.
What is the InChIKey of N-[4-[(5,6-dihydro-4H-cyclopenta[b]thiophene-2-carbonylamino)carbamoyl]phenyl]thiophene-2-sulfonamide?
The InChIKey is PUOMZSRKJGZWTL-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H17N3O4S3/c23-18(20-21-19(24)16-11-13-3-1-4-15(13)28-16)12-6-8-14(9-7-12)22-29(25,26)17-5-2-10-27-17/h2,5-11,22H,1,3-4H2,(H,20,23)(H,21,24).
What are the key properties of N-[4-[(5,6-dihydro-4H-cyclopenta[b]thiophene-2-carbonylamino)carbamoyl]phenyl]thiophene-2-sulfonamide?
N-[4-[(5,6-dihydro-4H-cyclopenta[b]thiophene-2-carbonylamino)carbamoyl]phenyl]thiophene-2-sulfonamide has a molecular weight of 447.56 g/mol, XLogP of 3.17, 5 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-[(5,6-dihydro-4H-cyclopenta[b]thiophene-2-carbonylamino)carbamoyl]phenyl]thiophene-2-sulfonamide is sourced from PubChem (CID 26872757), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).