2-[(3,5-dimethoxyphenyl)carbamoylamino]-5,7-dihydro-4H-thieno[2,3-c]thiopyran-3-carboxamide

C17H19N3O4S2 — CID 69450627

IUPAC2-[(3,5-dimethoxyphenyl)carbamoylamino]-5,7-dihydro-4H-thieno[2,3-c]thiopyran-3-carboxamide
SMILESCOc1cc(NC(=O)Nc2sc3c(c2C(N)=O)CCSC3)cc(OC)c1
InChIInChI=1S/C17H19N3O4S2/c1-23-10-5-9(6-11(7-10)24-2)19-17(22)20-16-14(15(18)21)12-3-4-25-8-13(12)26-16/h5-7H,3-4,8H2,1-2H3,(H2,18,21)(H2,19,20,22)
InChIKeyOFEXWQVJLLGMIK-UHFFFAOYSA-N
MW393.49 g/mol
LogP3.30
Rot. Bonds5

About 2-[(3,5-dimethoxyphenyl)carbamoylamino]-5,7-dihydro-4H-thieno[2,3-c]thiopyran-3-carboxamide

2-[(3,5-dimethoxyphenyl)carbamoylamino]-5,7-dihydro-4H-thieno[2,3-c]thiopyran-3-carboxamide (PubChem CID 69450627) has the molecular formula C17H19N3O4S2 and a molecular weight of 393.49 g/mol. Its IUPAC name is 2-[(3,5-dimethoxyphenyl)carbamoylamino]-5,7-dihydro-4H-thieno[2,3-c]thiopyran-3-carboxamide.

Molecular Properties

Compound Name2-[(3,5-dimethoxyphenyl)carbamoylamino]-5,7-dihydro-4H-thieno[2,3-c]thiopyran-3-carboxamide
PubChem CID69450627
Molecular FormulaC17H19N3O4S2
Molecular Weight393.49 g/mol
Exact Mass393.08
IUPAC Name2-[(3,5-dimethoxyphenyl)carbamoylamino]-5,7-dihydro-4H-thieno[2,3-c]thiopyran-3-carboxamide
SMILESCOc1cc(NC(=O)Nc2sc3c(c2C(N)=O)CCSC3)cc(OC)c1
InChIInChI=1S/C17H19N3O4S2/c1-23-10-5-9(6-11(7-10)24-2)19-17(22)20-16-14(15(18)21)12-3-4-25-8-13(12)26-16/h5-7H,3-4,8H2,1-2H3,(H2,18,21)(H2,19,20,22)
InChIKeyOFEXWQVJLLGMIK-UHFFFAOYSA-N
XLogP3.30
TPSA102.68 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500393.49
LogP ≤ 53.30
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

Analyze 2-[(3,5-dimethoxyphenyl)carbamoylamino]-5,7-dihydro-4H-thieno[2,3-c]thiopyran-3-carboxamide with MolForge

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Related Compounds

2-[(4-fluorophenyl)carbamoylamino]-5,7-dihydro-4H-thieno[2,3-c]thiopyran-3-carboxamide
CID 69445146
2-[(2-nitrophenyl)carbamoylamino]-5,7-dihydro-4H-thieno[2,3-c]thiopyran-3-carboxamide
CID 69447010
2-[(3,5-dichlorophenyl)carbamoylamino]-4,5,6,7-tetrahydrothieno[2,3-c]pyridine-3-carboxamide
CID 71080269
2-[(3,5-dimethoxybenzoyl)amino]-6-propan-2-yl-5,7-dihydro-4H-thieno[2,3-c]pyridine-3-carboxamide;hydrochloride
CID 16806268
2-[(3-methylphenyl)carbamoylamino]-5,6-dihydro-4H-cyclopenta[b]thiophene-3-carboxamide
CID 3962171
2-(3-morpholin-4-ylpropylcarbamoylamino)-5,7-dihydro-4H-thieno[2,3-c]thiopyran-3-carboxamide
CID 69450599
2-[[(2S)-2-[(3,5-dimethoxybenzoyl)amino]-3-methylbutanoyl]amino]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxamide
CID 2480484
2-[(4-bromophenyl)carbamoylamino]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxamide
CID 69453067
(6R)-2-[(3,5-dimethoxybenzoyl)amino]-6-(2-methylbutan-2-yl)-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxamide
CID 1070335
1-(3,5-dichlorophenyl)-3-(3,5-dimethoxyphenyl)urea
CID 108869520
2-[(2,6-dimethoxybenzoyl)amino]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxamide
CID 1219754
(6S)-2-[(3-chlorophenyl)carbamoylamino]-6-methyl-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxamide
CID 1370754

Frequently Asked Questions

What is the IUPAC name of 2-[(3,5-dimethoxyphenyl)carbamoylamino]-5,7-dihydro-4H-thieno[2,3-c]thiopyran-3-carboxamide?
The IUPAC name of 2-[(3,5-dimethoxyphenyl)carbamoylamino]-5,7-dihydro-4H-thieno[2,3-c]thiopyran-3-carboxamide (CID 69450627) is 2-[(3,5-dimethoxyphenyl)carbamoylamino]-5,7-dihydro-4H-thieno[2,3-c]thiopyran-3-carboxamide.
What is the SMILES notation for 2-[(3,5-dimethoxyphenyl)carbamoylamino]-5,7-dihydro-4H-thieno[2,3-c]thiopyran-3-carboxamide?
The canonical SMILES for 2-[(3,5-dimethoxyphenyl)carbamoylamino]-5,7-dihydro-4H-thieno[2,3-c]thiopyran-3-carboxamide is COc1cc(NC(=O)Nc2sc3c(c2C(N)=O)CCSC3)cc(OC)c1.
What is the InChIKey of 2-[(3,5-dimethoxyphenyl)carbamoylamino]-5,7-dihydro-4H-thieno[2,3-c]thiopyran-3-carboxamide?
The InChIKey is OFEXWQVJLLGMIK-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H19N3O4S2/c1-23-10-5-9(6-11(7-10)24-2)19-17(22)20-16-14(15(18)21)12-3-4-25-8-13(12)26-16/h5-7H,3-4,8H2,1-2H3,(H2,18,21)(H2,19,20,22).
What are the key properties of 2-[(3,5-dimethoxyphenyl)carbamoylamino]-5,7-dihydro-4H-thieno[2,3-c]thiopyran-3-carboxamide?
2-[(3,5-dimethoxyphenyl)carbamoylamino]-5,7-dihydro-4H-thieno[2,3-c]thiopyran-3-carboxamide has a molecular weight of 393.49 g/mol, XLogP of 3.30, 5 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(3,5-dimethoxyphenyl)carbamoylamino]-5,7-dihydro-4H-thieno[2,3-c]thiopyran-3-carboxamide is sourced from PubChem (CID 69450627), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).