(4R)-N-[3-(methylcarbamoyl)phenyl]-6,7-dihydro-4H-thieno[3,2-c]thiopyran-4-carboxamide

C16H16N2O2S2 — CID 95934977

IUPAC(4R)-N-[3-(methylcarbamoyl)phenyl]-6,7-dihydro-4H-thieno[3,2-c]thiopyran-4-carboxamide
SMILESCNC(=O)c1cccc(NC(=O)[C@@H]2SCCc3sccc32)c1
InChIInChI=1S/C16H16N2O2S2/c1-17-15(19)10-3-2-4-11(9-10)18-16(20)14-12-5-7-21-13(12)6-8-22-14/h2-5,7,9,14H,6,8H2,1H3,(H,17,19)(H,18,20)/t14-/m1/s1
InChIKeyOFMWCLQRTZGNFZ-CQSZACIVSA-N
MW332.45 g/mol
LogP3.08
Rot. Bonds3

About (4R)-N-[3-(methylcarbamoyl)phenyl]-6,7-dihydro-4H-thieno[3,2-c]thiopyran-4-carboxamide

(4R)-N-[3-(methylcarbamoyl)phenyl]-6,7-dihydro-4H-thieno[3,2-c]thiopyran-4-carboxamide (PubChem CID 95934977) has the molecular formula C16H16N2O2S2 and a molecular weight of 332.45 g/mol. Its IUPAC name is (4R)-N-[3-(methylcarbamoyl)phenyl]-6,7-dihydro-4H-thieno[3,2-c]thiopyran-4-carboxamide.

Molecular Properties

Compound Name(4R)-N-[3-(methylcarbamoyl)phenyl]-6,7-dihydro-4H-thieno[3,2-c]thiopyran-4-carboxamide
PubChem CID95934977
Molecular FormulaC16H16N2O2S2
Molecular Weight332.45 g/mol
Exact Mass332.07
IUPAC Name(4R)-N-[3-(methylcarbamoyl)phenyl]-6,7-dihydro-4H-thieno[3,2-c]thiopyran-4-carboxamide
SMILESCNC(=O)c1cccc(NC(=O)[C@@H]2SCCc3sccc32)c1
InChIInChI=1S/C16H16N2O2S2/c1-17-15(19)10-3-2-4-11(9-10)18-16(20)14-12-5-7-21-13(12)6-8-22-14/h2-5,7,9,14H,6,8H2,1H3,(H,17,19)(H,18,20)/t14-/m1/s1
InChIKeyOFMWCLQRTZGNFZ-CQSZACIVSA-N
XLogP3.08
TPSA58.20 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500332.45
LogP ≤ 53.08
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze (4R)-N-[3-(methylcarbamoyl)phenyl]-6,7-dihydro-4H-thieno[3,2-c]thiopyran-4-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

1-N,4-N-bis[3-(methylcarbamoyl)phenyl]cyclohexane-1,4-dicarboxamide
CID 17233453
N-[3-(methylcarbamoyl)phenyl]-1,3-thiazolidine-4-carboxamide
CID 61258442
N-methyl-3-[(5-methylthiolan-3-yl)amino]benzamide
CID 79942700
3-[[3-(methylcarbamoyl)phenyl]carbamoyl]cyclopentane-1-carboxylic acid
CID 103549959
3-[[4-(1,3-dithian-2-yl)benzoyl]amino]-N-methylbenzamide
CID 18208547
N-[3-(methylcarbamoyl)phenyl]pyrrolidine-2-carboxamide
CID 60711040
N-[3-(methylcarbamoyl)phenyl]-1-(thiophene-2-carbonyl)pyrrolidine-2-carboxamide
CID 112767377
3-(6,7-dihydro-4H-thieno[3,2-c]thiopyran-4-carbonylamino)-2-phenylpropanoic acid
CID 119254980
N-[(1-hydroxycyclohexyl)methyl]-6,7-dihydro-4H-thieno[3,2-c]thiopyran-4-carboxamide
CID 111485874
N-[3-(methylcarbamoyl)phenyl]-9-oxobicyclo[3.3.1]nonane-3-carboxamide
CID 43000554
N-methyl-3-(3-oxobutanoylamino)benzamide
CID 18072215
N-methyl-3-[[2-(methylamino)acetyl]amino]benzamide
CID 54820848

Frequently Asked Questions

What is the IUPAC name of (4R)-N-[3-(methylcarbamoyl)phenyl]-6,7-dihydro-4H-thieno[3,2-c]thiopyran-4-carboxamide?
The IUPAC name of (4R)-N-[3-(methylcarbamoyl)phenyl]-6,7-dihydro-4H-thieno[3,2-c]thiopyran-4-carboxamide (CID 95934977) is (4R)-N-[3-(methylcarbamoyl)phenyl]-6,7-dihydro-4H-thieno[3,2-c]thiopyran-4-carboxamide.
What is the SMILES notation for (4R)-N-[3-(methylcarbamoyl)phenyl]-6,7-dihydro-4H-thieno[3,2-c]thiopyran-4-carboxamide?
The canonical SMILES for (4R)-N-[3-(methylcarbamoyl)phenyl]-6,7-dihydro-4H-thieno[3,2-c]thiopyran-4-carboxamide is CNC(=O)c1cccc(NC(=O)[C@@H]2SCCc3sccc32)c1.
What is the InChIKey of (4R)-N-[3-(methylcarbamoyl)phenyl]-6,7-dihydro-4H-thieno[3,2-c]thiopyran-4-carboxamide?
The InChIKey is OFMWCLQRTZGNFZ-CQSZACIVSA-N. The full InChI is InChI=1S/C16H16N2O2S2/c1-17-15(19)10-3-2-4-11(9-10)18-16(20)14-12-5-7-21-13(12)6-8-22-14/h2-5,7,9,14H,6,8H2,1H3,(H,17,19)(H,18,20)/t14-/m1/s1.
What are the key properties of (4R)-N-[3-(methylcarbamoyl)phenyl]-6,7-dihydro-4H-thieno[3,2-c]thiopyran-4-carboxamide?
(4R)-N-[3-(methylcarbamoyl)phenyl]-6,7-dihydro-4H-thieno[3,2-c]thiopyran-4-carboxamide has a molecular weight of 332.45 g/mol, XLogP of 3.08, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (4R)-N-[3-(methylcarbamoyl)phenyl]-6,7-dihydro-4H-thieno[3,2-c]thiopyran-4-carboxamide is sourced from PubChem (CID 95934977), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).