2-[(4-chlorophenyl)sulfinamoylamino]-6-propan-2-yl-5,7-dihydro-4H-thieno[2,3-c]pyridine-3-carboxamide

C17H21ClN4O2S2 — CID 129172271

IUPAC2-[(4-chlorophenyl)sulfinamoylamino]-6-propan-2-yl-5,7-dihydro-4H-thieno[2,3-c]pyridine-3-carboxamide
SMILESCC(C)N1CCc2c(sc(NS(=O)Nc3ccc(Cl)cc3)c2C(N)=O)C1
InChIInChI=1S/C17H21ClN4O2S2/c1-10(2)22-8-7-13-14(9-22)25-17(15(13)16(19)23)21-26(24)20-12-5-3-11(18)4-6-12/h3-6,10,20-21H,7-9H2,1-2H3,(H2,19,23)
InChIKeyLLYWBIBJEVZDPI-UHFFFAOYSA-N
MW412.97 g/mol
LogP3.37
Rot. Bonds6

About 2-[(4-chlorophenyl)sulfinamoylamino]-6-propan-2-yl-5,7-dihydro-4H-thieno[2,3-c]pyridine-3-carboxamide

2-[(4-chlorophenyl)sulfinamoylamino]-6-propan-2-yl-5,7-dihydro-4H-thieno[2,3-c]pyridine-3-carboxamide (PubChem CID 129172271) has the molecular formula C17H21ClN4O2S2 and a molecular weight of 412.97 g/mol. Its IUPAC name is 2-[(4-chlorophenyl)sulfinamoylamino]-6-propan-2-yl-5,7-dihydro-4H-thieno[2,3-c]pyridine-3-carboxamide.

Molecular Properties

Compound Name2-[(4-chlorophenyl)sulfinamoylamino]-6-propan-2-yl-5,7-dihydro-4H-thieno[2,3-c]pyridine-3-carboxamide
PubChem CID129172271
Molecular FormulaC17H21ClN4O2S2
Molecular Weight412.97 g/mol
Exact Mass412.08
IUPAC Name2-[(4-chlorophenyl)sulfinamoylamino]-6-propan-2-yl-5,7-dihydro-4H-thieno[2,3-c]pyridine-3-carboxamide
SMILESCC(C)N1CCc2c(sc(NS(=O)Nc3ccc(Cl)cc3)c2C(N)=O)C1
InChIInChI=1S/C17H21ClN4O2S2/c1-10(2)22-8-7-13-14(9-22)25-17(15(13)16(19)23)21-26(24)20-12-5-3-11(18)4-6-12/h3-6,10,20-21H,7-9H2,1-2H3,(H2,19,23)
InChIKeyLLYWBIBJEVZDPI-UHFFFAOYSA-N
XLogP3.37
TPSA87.46 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500412.97
LogP ≤ 53.37
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

2-[(3,5-dichlorobenzoyl)amino]-6-propan-2-yl-5,7-dihydro-4H-thieno[2,3-c]pyridine-3-carboxamide;hydrochloride
CID 16806277
2-[(4-benzoylbenzoyl)amino]-6-propan-2-yl-5,7-dihydro-4H-thieno[2,3-c]pyridine-3-carboxamide
CID 4520692
2-(propanoylamino)-6-propan-2-yl-5,7-dihydro-4H-thieno[2,3-c]pyridine-3-carboxamide
CID 4154428
2-[(4-cyanobenzoyl)amino]-6-propan-2-yl-5,7-dihydro-4H-thieno[2,3-c]pyridine-3-carboxamide;hydrochloride
CID 16806305
2-[(4-ethylsulfanylbenzoyl)amino]-6-propan-2-yl-5,7-dihydro-4H-thieno[2,3-c]pyridine-3-carboxamide;hydrochloride
CID 44987638
2-[[4-(2,5-dioxopyrrolidin-1-yl)benzoyl]amino]-6-propan-2-yl-5,7-dihydro-4H-thieno[2,3-c]pyridine-3-carboxamide;hydrochloride
CID 16806318
2-[(3-ethylsulfanylbenzoyl)amino]-6-propan-2-yl-5,7-dihydro-4H-thieno[2,3-c]pyridine-3-carboxamide
CID 7578887
2-[3-(4-methylphenyl)sulfanylpropanoylamino]-6-propan-2-yl-5,7-dihydro-4H-thieno[2,3-c]pyridine-3-carboxamide
CID 7545376
2-[(3,5-dimethoxybenzoyl)amino]-6-propan-2-yl-5,7-dihydro-4H-thieno[2,3-c]pyridine-3-carboxamide;hydrochloride
CID 16806268
2-[[2-(benzenesulfonyl)acetyl]amino]-6-propan-2-yl-5,7-dihydro-4H-thieno[2,3-c]pyridine-3-carboxamide
CID 7544525
2-[3-(4-fluorophenyl)sulfanylpropanoylamino]-6-propan-2-yl-5,7-dihydro-4H-thieno[2,3-c]pyridine-3-carboxamide;hydrochloride
CID 16833075
2-[3-(4-fluorophenyl)sulfonylpropanoylamino]-6-propan-2-yl-5,7-dihydro-4H-thieno[2,3-c]pyridine-3-carboxamide;hydrochloride
CID 16833006

Frequently Asked Questions

What is the IUPAC name of 2-[(4-chlorophenyl)sulfinamoylamino]-6-propan-2-yl-5,7-dihydro-4H-thieno[2,3-c]pyridine-3-carboxamide?
The IUPAC name of 2-[(4-chlorophenyl)sulfinamoylamino]-6-propan-2-yl-5,7-dihydro-4H-thieno[2,3-c]pyridine-3-carboxamide (CID 129172271) is 2-[(4-chlorophenyl)sulfinamoylamino]-6-propan-2-yl-5,7-dihydro-4H-thieno[2,3-c]pyridine-3-carboxamide.
What is the SMILES notation for 2-[(4-chlorophenyl)sulfinamoylamino]-6-propan-2-yl-5,7-dihydro-4H-thieno[2,3-c]pyridine-3-carboxamide?
The canonical SMILES for 2-[(4-chlorophenyl)sulfinamoylamino]-6-propan-2-yl-5,7-dihydro-4H-thieno[2,3-c]pyridine-3-carboxamide is CC(C)N1CCc2c(sc(NS(=O)Nc3ccc(Cl)cc3)c2C(N)=O)C1.
What is the InChIKey of 2-[(4-chlorophenyl)sulfinamoylamino]-6-propan-2-yl-5,7-dihydro-4H-thieno[2,3-c]pyridine-3-carboxamide?
The InChIKey is LLYWBIBJEVZDPI-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H21ClN4O2S2/c1-10(2)22-8-7-13-14(9-22)25-17(15(13)16(19)23)21-26(24)20-12-5-3-11(18)4-6-12/h3-6,10,20-21H,7-9H2,1-2H3,(H2,19,23).
What are the key properties of 2-[(4-chlorophenyl)sulfinamoylamino]-6-propan-2-yl-5,7-dihydro-4H-thieno[2,3-c]pyridine-3-carboxamide?
2-[(4-chlorophenyl)sulfinamoylamino]-6-propan-2-yl-5,7-dihydro-4H-thieno[2,3-c]pyridine-3-carboxamide has a molecular weight of 412.97 g/mol, XLogP of 3.37, 6 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(4-chlorophenyl)sulfinamoylamino]-6-propan-2-yl-5,7-dihydro-4H-thieno[2,3-c]pyridine-3-carboxamide is sourced from PubChem (CID 129172271), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).