2-(carbamoylamino)-6,9-dimethoxy-4,5-dihydrobenzo[g][1]benzothiole-3-carboxamide

C16H17N3O4S — CID 10427786

IUPAC2-(carbamoylamino)-6,9-dimethoxy-4,5-dihydrobenzo[g][1]benzothiole-3-carboxamide
SMILESCOc1ccc(OC)c2c1CCc1c-2sc(NC(N)=O)c1C(N)=O
InChIInChI=1S/C16H17N3O4S/c1-22-9-5-6-10(23-2)11-7(9)3-4-8-12(14(17)20)15(19-16(18)21)24-13(8)11/h5-6H,3-4H2,1-2H3,(H2,17,20)(H3,18,19,21)
InChIKeyNVVPIOZWHVFKIQ-UHFFFAOYSA-N
MW347.40 g/mol
LogP2.12
Rot. Bonds4

About 2-(carbamoylamino)-6,9-dimethoxy-4,5-dihydrobenzo[g][1]benzothiole-3-carboxamide

2-(carbamoylamino)-6,9-dimethoxy-4,5-dihydrobenzo[g][1]benzothiole-3-carboxamide (PubChem CID 10427786) has the molecular formula C16H17N3O4S and a molecular weight of 347.40 g/mol. Its IUPAC name is 2-(carbamoylamino)-6,9-dimethoxy-4,5-dihydrobenzo[g][1]benzothiole-3-carboxamide.

Molecular Properties

Compound Name2-(carbamoylamino)-6,9-dimethoxy-4,5-dihydrobenzo[g][1]benzothiole-3-carboxamide
PubChem CID10427786
Molecular FormulaC16H17N3O4S
Molecular Weight347.40 g/mol
Exact Mass347.09
IUPAC Name2-(carbamoylamino)-6,9-dimethoxy-4,5-dihydrobenzo[g][1]benzothiole-3-carboxamide
SMILESCOc1ccc(OC)c2c1CCc1c-2sc(NC(N)=O)c1C(N)=O
InChIInChI=1S/C16H17N3O4S/c1-22-9-5-6-10(23-2)11-7(9)3-4-8-12(14(17)20)15(19-16(18)21)24-13(8)11/h5-6H,3-4H2,1-2H3,(H2,17,20)(H3,18,19,21)
InChIKeyNVVPIOZWHVFKIQ-UHFFFAOYSA-N
XLogP2.12
TPSA116.67 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500347.40
LogP ≤ 52.12
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Analyze 2-(carbamoylamino)-6,9-dimethoxy-4,5-dihydrobenzo[g][1]benzothiole-3-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

2-(carbamoylamino)-9-methoxy-4,5-dihydrobenzo[g][1]benzothiole-3-carboxamide
CID 10335967
2-(carbamoylamino)-9-chloro-4,5-dihydrobenzo[g][1]benzothiole-3-carboxamide
CID 10336215
2-(carbamoylamino)-6-methyl-4,5-dihydrobenzo[g][1]benzothiole-3-carboxamide
CID 10017745
6-bromo-2-(carbamoylamino)-4,5-dihydrobenzo[g][1]benzothiole-3-carboxamide
CID 10474054
2-(carbamoylamino)-7-(2-methoxyethyl)-4,5-dihydrothieno[2,3-e]indazole-3-carboxamide
CID 44610231
2-[(3,4-dimethoxybenzoyl)amino]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxamide
CID 1048845
2-[(2,6-dimethoxybenzoyl)amino]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxamide
CID 1219754
2-(carbamoylamino)-7-(2-methylphenyl)-4,5-dihydrothieno[2,3-e]indazole-3-carboxamide
CID 44610229
2-[(3-bromo-4-methoxybenzoyl)amino]-5,6-dihydro-4H-cyclopenta[b]thiophene-3-carboxamide
CID 4503423
2-[(5-chloro-2-methoxybenzoyl)amino]-5,6-dihydro-4H-cyclopenta[b]thiophene-3-carboxamide
CID 1239727
2-(carbamoylamino)-7-(1-phenylethyl)-4,5-dihydrothieno[2,3-e]indazole-3-carboxamide
CID 53252913
2-(carbamoylamino)-6-cyclopentyl-4,5-dihydrothieno[2,3-e]indazole-3-carboxamide
CID 53252732

Frequently Asked Questions

What is the IUPAC name of 2-(carbamoylamino)-6,9-dimethoxy-4,5-dihydrobenzo[g][1]benzothiole-3-carboxamide?
The IUPAC name of 2-(carbamoylamino)-6,9-dimethoxy-4,5-dihydrobenzo[g][1]benzothiole-3-carboxamide (CID 10427786) is 2-(carbamoylamino)-6,9-dimethoxy-4,5-dihydrobenzo[g][1]benzothiole-3-carboxamide.
What is the SMILES notation for 2-(carbamoylamino)-6,9-dimethoxy-4,5-dihydrobenzo[g][1]benzothiole-3-carboxamide?
The canonical SMILES for 2-(carbamoylamino)-6,9-dimethoxy-4,5-dihydrobenzo[g][1]benzothiole-3-carboxamide is COc1ccc(OC)c2c1CCc1c-2sc(NC(N)=O)c1C(N)=O.
What is the InChIKey of 2-(carbamoylamino)-6,9-dimethoxy-4,5-dihydrobenzo[g][1]benzothiole-3-carboxamide?
The InChIKey is NVVPIOZWHVFKIQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H17N3O4S/c1-22-9-5-6-10(23-2)11-7(9)3-4-8-12(14(17)20)15(19-16(18)21)24-13(8)11/h5-6H,3-4H2,1-2H3,(H2,17,20)(H3,18,19,21).
What are the key properties of 2-(carbamoylamino)-6,9-dimethoxy-4,5-dihydrobenzo[g][1]benzothiole-3-carboxamide?
2-(carbamoylamino)-6,9-dimethoxy-4,5-dihydrobenzo[g][1]benzothiole-3-carboxamide has a molecular weight of 347.40 g/mol, XLogP of 2.12, 4 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(carbamoylamino)-6,9-dimethoxy-4,5-dihydrobenzo[g][1]benzothiole-3-carboxamide is sourced from PubChem (CID 10427786), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).