N,N-diethyl-2-(thiophene-2-carbonylamino)-5,7-dihydro-4H-thieno[2,3-c]thiopyran-3-carboxamide

C17H20N2O2S3 — CID 24901577

IUPACN,N-diethyl-2-(thiophene-2-carbonylamino)-5,7-dihydro-4H-thieno[2,3-c]thiopyran-3-carboxamide
SMILESCCN(CC)C(=O)c1c(NC(=O)c2cccs2)sc2c1CCSC2
InChIInChI=1S/C17H20N2O2S3/c1-3-19(4-2)17(21)14-11-7-9-22-10-13(11)24-16(14)18-15(20)12-6-5-8-23-12/h5-6,8H,3-4,7,9-10H2,1-2H3,(H,18,20)
InChIKeyYKRLVMAJAJTVBP-UHFFFAOYSA-N
MW380.56 g/mol
LogP4.33
Rot. Bonds5

About N,N-diethyl-2-(thiophene-2-carbonylamino)-5,7-dihydro-4H-thieno[2,3-c]thiopyran-3-carboxamide

N,N-diethyl-2-(thiophene-2-carbonylamino)-5,7-dihydro-4H-thieno[2,3-c]thiopyran-3-carboxamide (PubChem CID 24901577) has the molecular formula C17H20N2O2S3 and a molecular weight of 380.56 g/mol. Its IUPAC name is N,N-diethyl-2-(thiophene-2-carbonylamino)-5,7-dihydro-4H-thieno[2,3-c]thiopyran-3-carboxamide.

Molecular Properties

Compound NameN,N-diethyl-2-(thiophene-2-carbonylamino)-5,7-dihydro-4H-thieno[2,3-c]thiopyran-3-carboxamide
PubChem CID24901577
Molecular FormulaC17H20N2O2S3
Molecular Weight380.56 g/mol
Exact Mass380.07
IUPAC NameN,N-diethyl-2-(thiophene-2-carbonylamino)-5,7-dihydro-4H-thieno[2,3-c]thiopyran-3-carboxamide
SMILESCCN(CC)C(=O)c1c(NC(=O)c2cccs2)sc2c1CCSC2
InChIInChI=1S/C17H20N2O2S3/c1-3-19(4-2)17(21)14-11-7-9-22-10-13(11)24-16(14)18-15(20)12-6-5-8-23-12/h5-6,8H,3-4,7,9-10H2,1-2H3,(H,18,20)
InChIKeyYKRLVMAJAJTVBP-UHFFFAOYSA-N
XLogP4.33
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500380.56
LogP ≤ 54.33
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N,N-Diethyl-2-[(2-thienylcarbonyl)amino]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxamide
CID 1190625
(5R)-N,N-Diethyl-5-methyl-2-[(thiophen-2-ylcarbonyl)amino]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxamide
CID 16122638
N-(3-(piperidin-1-ylcarbonyl)-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)thiophene-2-carboxamide
CID 1190622
3-N,3-N-diethyl-5-methyl-2-N-(thiophene-2-)-4,5,6,7-tetrahydro-1-benzothiophene-2,3-diamido
CID 23628220
2-(Thiophene-2-amido)-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxamide
CID 675901
3-methyl-2-sulfanyl-5-(thiophen-2-yl)-3H,4H-thieno[2,3-d]pyrimidin-4-one
CID 3746307
2-(3-methylthiophen-2-yl)-2,3,5,6,7,8-hexahydro[1]benzothieno[2,3-d]pyrimidin-4(1H)-one
CID 658850
4-Ethyl-5-methyl-2-(thiophene-2-carbonylamino)thiophene-3-carboxamide
CID 725819
2-(Thiophene-2-carbonylamino)-4,5,6,7,8,9-hexahydrocycloocta[b]thiophene-3-carboxamide
CID 868983
6-Tert-butyl-2-(thiophene-2-carbonylamino)-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxamide
CID 2862078
N-(3-cyanothiophen-2-yl)-2-(5,6-dimethyl-4-oxo-3-prop-2-enylthieno[2,3-d]pyrimidin-2-yl)sulfanylacetamide
CID 1564171
2-(Thiophene-2-amido)thiophene-3-carboxamide
CID 2971411

Frequently Asked Questions

What is the IUPAC name of N,N-diethyl-2-(thiophene-2-carbonylamino)-5,7-dihydro-4H-thieno[2,3-c]thiopyran-3-carboxamide?
The IUPAC name of N,N-diethyl-2-(thiophene-2-carbonylamino)-5,7-dihydro-4H-thieno[2,3-c]thiopyran-3-carboxamide (CID 24901577) is N,N-diethyl-2-(thiophene-2-carbonylamino)-5,7-dihydro-4H-thieno[2,3-c]thiopyran-3-carboxamide.
What is the SMILES notation for N,N-diethyl-2-(thiophene-2-carbonylamino)-5,7-dihydro-4H-thieno[2,3-c]thiopyran-3-carboxamide?
The canonical SMILES for N,N-diethyl-2-(thiophene-2-carbonylamino)-5,7-dihydro-4H-thieno[2,3-c]thiopyran-3-carboxamide is CCN(CC)C(=O)c1c(NC(=O)c2cccs2)sc2c1CCSC2.
What is the InChIKey of N,N-diethyl-2-(thiophene-2-carbonylamino)-5,7-dihydro-4H-thieno[2,3-c]thiopyran-3-carboxamide?
The InChIKey is YKRLVMAJAJTVBP-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H20N2O2S3/c1-3-19(4-2)17(21)14-11-7-9-22-10-13(11)24-16(14)18-15(20)12-6-5-8-23-12/h5-6,8H,3-4,7,9-10H2,1-2H3,(H,18,20).
What are the key properties of N,N-diethyl-2-(thiophene-2-carbonylamino)-5,7-dihydro-4H-thieno[2,3-c]thiopyran-3-carboxamide?
N,N-diethyl-2-(thiophene-2-carbonylamino)-5,7-dihydro-4H-thieno[2,3-c]thiopyran-3-carboxamide has a molecular weight of 380.56 g/mol, XLogP of 4.33, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N,N-diethyl-2-(thiophene-2-carbonylamino)-5,7-dihydro-4H-thieno[2,3-c]thiopyran-3-carboxamide is sourced from PubChem (CID 24901577), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).