N-(4-chlorophenyl)-4-(pyridine-3-carbonyl)-5,6-dihydrothieno[3,2-b]pyrrole-2-carboxamide

C19H14ClN3O2S — CID 97407183

IUPACN-(4-chlorophenyl)-4-(pyridine-3-carbonyl)-5,6-dihydrothieno[3,2-b]pyrrole-2-carboxamide
SMILESO=C(Nc1ccc(Cl)cc1)c1cc2c(s1)CCN2C(=O)c1cccnc1
InChIInChI=1S/C19H14ClN3O2S/c20-13-3-5-14(6-4-13)22-18(24)17-10-15-16(26-17)7-9-23(15)19(25)12-2-1-8-21-11-12/h1-6,8,10-11H,7,9H2,(H,22,24)
InChIKeyJKLQUMAZGZRKEY-UHFFFAOYSA-N
MW383.86 g/mol
LogP4.25
Rot. Bonds3

About N-(4-chlorophenyl)-4-(pyridine-3-carbonyl)-5,6-dihydrothieno[3,2-b]pyrrole-2-carboxamide

N-(4-chlorophenyl)-4-(pyridine-3-carbonyl)-5,6-dihydrothieno[3,2-b]pyrrole-2-carboxamide (PubChem CID 97407183) has the molecular formula C19H14ClN3O2S and a molecular weight of 383.86 g/mol. Its IUPAC name is N-(4-chlorophenyl)-4-(pyridine-3-carbonyl)-5,6-dihydrothieno[3,2-b]pyrrole-2-carboxamide.

Molecular Properties

Compound NameN-(4-chlorophenyl)-4-(pyridine-3-carbonyl)-5,6-dihydrothieno[3,2-b]pyrrole-2-carboxamide
PubChem CID97407183
Molecular FormulaC19H14ClN3O2S
Molecular Weight383.86 g/mol
Exact Mass383.05
IUPAC NameN-(4-chlorophenyl)-4-(pyridine-3-carbonyl)-5,6-dihydrothieno[3,2-b]pyrrole-2-carboxamide
SMILESO=C(Nc1ccc(Cl)cc1)c1cc2c(s1)CCN2C(=O)c1cccnc1
InChIInChI=1S/C19H14ClN3O2S/c20-13-3-5-14(6-4-13)22-18(24)17-10-15-16(26-17)7-9-23(15)19(25)12-2-1-8-21-11-12/h1-6,8,10-11H,7,9H2,(H,22,24)
InChIKeyJKLQUMAZGZRKEY-UHFFFAOYSA-N
XLogP4.25
TPSA62.30 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500383.86
LogP ≤ 54.25
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

4-benzoyl-N-(4-chlorophenyl)-5,6-dihydrothieno[3,2-b]pyrrole-2-carboxamide
CID 97442321
4-(pyridine-3-carbonyl)-N-(pyridin-2-ylmethyl)-5,6-dihydrothieno[3,2-b]pyrrole-2-carboxamide
CID 97407182
N-(4-chlorophenyl)-5-(2,3-dihydroindole-1-carbonyl)pyridine-3-carboxamide
CID 109108143
N-[1-(pyridine-3-carbonyl)-2,3-dihydroindol-6-yl]pyridine-4-carboxamide
CID 112506253
4-(4-fluorobenzoyl)-N-(2-fluorophenyl)-5,6-dihydrothieno[3,2-b]pyrrole-2-carboxamide
CID 97407190
2-amino-2-methyl-N-[1-(pyridine-3-carbonyl)-2,3-dihydroindol-5-yl]propanamide
CID 119888320
1-(4-chlorophenyl)-N-[1-(pyridine-3-carbonyl)-3,4-dihydro-2H-quinolin-6-yl]methanesulfonamide
CID 52905682
2-amino-N-[1-(pyridine-3-carbonyl)-2,3-dihydroindol-6-yl]acetamide
CID 22689805
4-methyl-N-[1-(pyridine-3-carbonyl)-3,4-dihydro-2H-quinolin-6-yl]benzamide
CID 112505958
N-[1-(pyridine-3-carbonyl)-2,3-dihydroindol-5-yl]-1,3-benzodioxole-5-carboxamide
CID 112506085
4-[(4-chlorobenzoyl)amino]-N-pyridin-3-ylbenzamide
CID 38754764
4-benzoyl-N-propyl-5,6-dihydrothieno[3,2-b]pyrrole-2-carboxamide
CID 97442309

Frequently Asked Questions

What is the IUPAC name of N-(4-chlorophenyl)-4-(pyridine-3-carbonyl)-5,6-dihydrothieno[3,2-b]pyrrole-2-carboxamide?
The IUPAC name of N-(4-chlorophenyl)-4-(pyridine-3-carbonyl)-5,6-dihydrothieno[3,2-b]pyrrole-2-carboxamide (CID 97407183) is N-(4-chlorophenyl)-4-(pyridine-3-carbonyl)-5,6-dihydrothieno[3,2-b]pyrrole-2-carboxamide.
What is the SMILES notation for N-(4-chlorophenyl)-4-(pyridine-3-carbonyl)-5,6-dihydrothieno[3,2-b]pyrrole-2-carboxamide?
The canonical SMILES for N-(4-chlorophenyl)-4-(pyridine-3-carbonyl)-5,6-dihydrothieno[3,2-b]pyrrole-2-carboxamide is O=C(Nc1ccc(Cl)cc1)c1cc2c(s1)CCN2C(=O)c1cccnc1.
What is the InChIKey of N-(4-chlorophenyl)-4-(pyridine-3-carbonyl)-5,6-dihydrothieno[3,2-b]pyrrole-2-carboxamide?
The InChIKey is JKLQUMAZGZRKEY-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H14ClN3O2S/c20-13-3-5-14(6-4-13)22-18(24)17-10-15-16(26-17)7-9-23(15)19(25)12-2-1-8-21-11-12/h1-6,8,10-11H,7,9H2,(H,22,24).
What are the key properties of N-(4-chlorophenyl)-4-(pyridine-3-carbonyl)-5,6-dihydrothieno[3,2-b]pyrrole-2-carboxamide?
N-(4-chlorophenyl)-4-(pyridine-3-carbonyl)-5,6-dihydrothieno[3,2-b]pyrrole-2-carboxamide has a molecular weight of 383.86 g/mol, XLogP of 4.25, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-chlorophenyl)-4-(pyridine-3-carbonyl)-5,6-dihydrothieno[3,2-b]pyrrole-2-carboxamide is sourced from PubChem (CID 97407183), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).