2-[(3,5-dichlorophenyl)carbamoylamino]-4,5,6,7-tetrahydrothieno[2,3-c]pyridine-3-carboxamide

C15H14Cl2N4O2S — CID 71080269

IUPAC2-[(3,5-dichlorophenyl)carbamoylamino]-4,5,6,7-tetrahydrothieno[2,3-c]pyridine-3-carboxamide
SMILESNC(=O)c1c(NC(=O)Nc2cc(Cl)cc(Cl)c2)sc2c1CCNC2
InChIInChI=1S/C15H14Cl2N4O2S/c16-7-3-8(17)5-9(4-7)20-15(23)21-14-12(13(18)22)10-1-2-19-6-11(10)24-14/h3-5,19H,1-2,6H2,(H2,18,22)(H2,20,21,23)
InChIKeyBLMSEAWRCVYOKA-UHFFFAOYSA-N
MW385.28 g/mol
LogP3.44
Rot. Bonds3

About 2-[(3,5-dichlorophenyl)carbamoylamino]-4,5,6,7-tetrahydrothieno[2,3-c]pyridine-3-carboxamide

2-[(3,5-dichlorophenyl)carbamoylamino]-4,5,6,7-tetrahydrothieno[2,3-c]pyridine-3-carboxamide (PubChem CID 71080269) has the molecular formula C15H14Cl2N4O2S and a molecular weight of 385.28 g/mol. Its IUPAC name is 2-[(3,5-dichlorophenyl)carbamoylamino]-4,5,6,7-tetrahydrothieno[2,3-c]pyridine-3-carboxamide.

Molecular Properties

Compound Name2-[(3,5-dichlorophenyl)carbamoylamino]-4,5,6,7-tetrahydrothieno[2,3-c]pyridine-3-carboxamide
PubChem CID71080269
Molecular FormulaC15H14Cl2N4O2S
Molecular Weight385.28 g/mol
Exact Mass384.02
IUPAC Name2-[(3,5-dichlorophenyl)carbamoylamino]-4,5,6,7-tetrahydrothieno[2,3-c]pyridine-3-carboxamide
SMILESNC(=O)c1c(NC(=O)Nc2cc(Cl)cc(Cl)c2)sc2c1CCNC2
InChIInChI=1S/C15H14Cl2N4O2S/c16-7-3-8(17)5-9(4-7)20-15(23)21-14-12(13(18)22)10-1-2-19-6-11(10)24-14/h3-5,19H,1-2,6H2,(H2,18,22)(H2,20,21,23)
InChIKeyBLMSEAWRCVYOKA-UHFFFAOYSA-N
XLogP3.44
TPSA96.25 Ų
H-Bond Donors4
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500385.28
LogP ≤ 53.44
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 104

Analyze 2-[(3,5-dichlorophenyl)carbamoylamino]-4,5,6,7-tetrahydrothieno[2,3-c]pyridine-3-carboxamide with MolForge

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Related Compounds

2-[(4-chlorocyclohexa-1,3-dien-1-yl)carbamoylamino]-4,5,6,7-tetrahydrothieno[2,3-c]pyridine-3-carboxamide
CID 129172274
2-(methylamino)-4,5,6,7-tetrahydrothieno[2,3-c]pyridine-3-carboxamide
CID 70843901
(6S)-2-[(3-chlorophenyl)carbamoylamino]-6-methyl-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxamide
CID 1370754
1-(3,5-dichlorophenyl)-3-(4,5,6,7-tetrahydro-[1,3]thiazolo[5,4-c]pyridin-2-yl)urea
CID 107653982
2-[(3-chloro-4-fluorophenyl)carbamoylamino]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxamide
CID 69444849
(6R)-2-[(3-chlorophenyl)carbamoylamino]-6-ethyl-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxamide
CID 1358661
[3-carbamoyl-2-[(4-chlorophenyl)carbamoylamino]-4,5,6,7-tetrahydro-1-benzothiophen-6-yl]-trimethylazanium
CID 118307311
2-[(4-chlorophenyl)carbamoylamino]-6-methyl-4,5,6,7-tetrahydrothieno[2,3-c]pyridin-6-ium-3-carboxamide
CID 7458326
2-[(3,4-dichlorophenyl)carbamoylamino]-6-ethyl-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxamide
CID 2862635
2-[(3,5-dimethoxyphenyl)carbamoylamino]-5,7-dihydro-4H-thieno[2,3-c]thiopyran-3-carboxamide
CID 69450627
2-[(4-bromophenyl)carbamoylamino]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxamide
CID 69453067
2-[(4-fluorophenyl)carbamoylamino]-5,7-dihydro-4H-thieno[2,3-c]thiopyran-3-carboxamide
CID 69445146

Frequently Asked Questions

What is the IUPAC name of 2-[(3,5-dichlorophenyl)carbamoylamino]-4,5,6,7-tetrahydrothieno[2,3-c]pyridine-3-carboxamide?
The IUPAC name of 2-[(3,5-dichlorophenyl)carbamoylamino]-4,5,6,7-tetrahydrothieno[2,3-c]pyridine-3-carboxamide (CID 71080269) is 2-[(3,5-dichlorophenyl)carbamoylamino]-4,5,6,7-tetrahydrothieno[2,3-c]pyridine-3-carboxamide.
What is the SMILES notation for 2-[(3,5-dichlorophenyl)carbamoylamino]-4,5,6,7-tetrahydrothieno[2,3-c]pyridine-3-carboxamide?
The canonical SMILES for 2-[(3,5-dichlorophenyl)carbamoylamino]-4,5,6,7-tetrahydrothieno[2,3-c]pyridine-3-carboxamide is NC(=O)c1c(NC(=O)Nc2cc(Cl)cc(Cl)c2)sc2c1CCNC2.
What is the InChIKey of 2-[(3,5-dichlorophenyl)carbamoylamino]-4,5,6,7-tetrahydrothieno[2,3-c]pyridine-3-carboxamide?
The InChIKey is BLMSEAWRCVYOKA-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H14Cl2N4O2S/c16-7-3-8(17)5-9(4-7)20-15(23)21-14-12(13(18)22)10-1-2-19-6-11(10)24-14/h3-5,19H,1-2,6H2,(H2,18,22)(H2,20,21,23).
What are the key properties of 2-[(3,5-dichlorophenyl)carbamoylamino]-4,5,6,7-tetrahydrothieno[2,3-c]pyridine-3-carboxamide?
2-[(3,5-dichlorophenyl)carbamoylamino]-4,5,6,7-tetrahydrothieno[2,3-c]pyridine-3-carboxamide has a molecular weight of 385.28 g/mol, XLogP of 3.44, 3 rotatable bonds, 4 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(3,5-dichlorophenyl)carbamoylamino]-4,5,6,7-tetrahydrothieno[2,3-c]pyridine-3-carboxamide is sourced from PubChem (CID 71080269), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).