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

C20H25N3O2S2 — CID 7578887

IUPAC2-[(3-ethylsulfanylbenzoyl)amino]-6-propan-2-yl-5,7-dihydro-4H-thieno[2,3-c]pyridine-3-carboxamide
SMILESCCSc1cccc(C(=O)Nc2sc3c(c2C(N)=O)CCN(C(C)C)C3)c1
InChIInChI=1S/C20H25N3O2S2/c1-4-26-14-7-5-6-13(10-14)19(25)22-20-17(18(21)24)15-8-9-23(12(2)3)11-16(15)27-20/h5-7,10,12H,4,8-9,11H2,1-3H3,(H2,21,24)(H,22,25)
InChIKeyYQLPIEPMYDPADK-UHFFFAOYSA-N
MW403.57 g/mol
LogP3.98
Rot. Bonds6

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

2-[(3-ethylsulfanylbenzoyl)amino]-6-propan-2-yl-5,7-dihydro-4H-thieno[2,3-c]pyridine-3-carboxamide (PubChem CID 7578887) has the molecular formula C20H25N3O2S2 and a molecular weight of 403.57 g/mol. Its IUPAC name is 2-[(3-ethylsulfanylbenzoyl)amino]-6-propan-2-yl-5,7-dihydro-4H-thieno[2,3-c]pyridine-3-carboxamide.

Molecular Properties

Compound Name2-[(3-ethylsulfanylbenzoyl)amino]-6-propan-2-yl-5,7-dihydro-4H-thieno[2,3-c]pyridine-3-carboxamide
PubChem CID7578887
Molecular FormulaC20H25N3O2S2
Molecular Weight403.57 g/mol
Exact Mass403.14
IUPAC Name2-[(3-ethylsulfanylbenzoyl)amino]-6-propan-2-yl-5,7-dihydro-4H-thieno[2,3-c]pyridine-3-carboxamide
SMILESCCSc1cccc(C(=O)Nc2sc3c(c2C(N)=O)CCN(C(C)C)C3)c1
InChIInChI=1S/C20H25N3O2S2/c1-4-26-14-7-5-6-13(10-14)19(25)22-20-17(18(21)24)15-8-9-23(12(2)3)11-16(15)27-20/h5-7,10,12H,4,8-9,11H2,1-3H3,(H2,21,24)(H,22,25)
InChIKeyYQLPIEPMYDPADK-UHFFFAOYSA-N
XLogP3.98
TPSA75.43 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500403.57
LogP ≤ 53.98
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

2-[(4-ethylsulfanylbenzoyl)amino]-6-propan-2-yl-5,7-dihydro-4H-thieno[2,3-c]pyridine-3-carboxamide;hydrochloride
CID 44987638
2-[(4-benzoylbenzoyl)amino]-6-propan-2-yl-5,7-dihydro-4H-thieno[2,3-c]pyridine-3-carboxamide
CID 4520692
2-[(3,5-dichlorobenzoyl)amino]-6-propan-2-yl-5,7-dihydro-4H-thieno[2,3-c]pyridine-3-carboxamide;hydrochloride
CID 16806277
diethyl 2-[(3-ethylsulfanylbenzoyl)amino]-5,7-dihydro-4H-thieno[2,3-c]pyridine-3,6-dicarboxylate
CID 41028588
2-(propanoylamino)-6-propan-2-yl-5,7-dihydro-4H-thieno[2,3-c]pyridine-3-carboxamide
CID 4154428
6-O-ethyl 3-O-methyl 2-[(3-ethylsulfanylbenzoyl)amino]-5,7-dihydro-4H-thieno[2,3-c]pyridine-3,6-dicarboxylate
CID 41028587
2-[(3,5-dimethoxybenzoyl)amino]-6-propan-2-yl-5,7-dihydro-4H-thieno[2,3-c]pyridine-3-carboxamide;hydrochloride
CID 16806268
methyl 2-[(3-ethylsulfanylbenzoyl)amino]-6-propyl-5,7-dihydro-4H-thieno[2,3-c]pyridine-3-carboxylate;hydrochloride
CID 44988278
2-[(4-cyanobenzoyl)amino]-6-propan-2-yl-5,7-dihydro-4H-thieno[2,3-c]pyridine-3-carboxamide;hydrochloride
CID 16806305
ethyl 2-[[3-(2,5-dioxopyrrolidin-1-yl)benzoyl]amino]-6-propan-2-yl-5,7-dihydro-4H-thieno[2,3-c]pyridine-3-carboxylate
CID 4200443
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-(4-methylphenyl)sulfanylpropanoylamino]-6-propan-2-yl-5,7-dihydro-4H-thieno[2,3-c]pyridine-3-carboxamide
CID 7545376

Frequently Asked Questions

What is the IUPAC name of 2-[(3-ethylsulfanylbenzoyl)amino]-6-propan-2-yl-5,7-dihydro-4H-thieno[2,3-c]pyridine-3-carboxamide?
The IUPAC name of 2-[(3-ethylsulfanylbenzoyl)amino]-6-propan-2-yl-5,7-dihydro-4H-thieno[2,3-c]pyridine-3-carboxamide (CID 7578887) is 2-[(3-ethylsulfanylbenzoyl)amino]-6-propan-2-yl-5,7-dihydro-4H-thieno[2,3-c]pyridine-3-carboxamide.
What is the SMILES notation for 2-[(3-ethylsulfanylbenzoyl)amino]-6-propan-2-yl-5,7-dihydro-4H-thieno[2,3-c]pyridine-3-carboxamide?
The canonical SMILES for 2-[(3-ethylsulfanylbenzoyl)amino]-6-propan-2-yl-5,7-dihydro-4H-thieno[2,3-c]pyridine-3-carboxamide is CCSc1cccc(C(=O)Nc2sc3c(c2C(N)=O)CCN(C(C)C)C3)c1.
What is the InChIKey of 2-[(3-ethylsulfanylbenzoyl)amino]-6-propan-2-yl-5,7-dihydro-4H-thieno[2,3-c]pyridine-3-carboxamide?
The InChIKey is YQLPIEPMYDPADK-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H25N3O2S2/c1-4-26-14-7-5-6-13(10-14)19(25)22-20-17(18(21)24)15-8-9-23(12(2)3)11-16(15)27-20/h5-7,10,12H,4,8-9,11H2,1-3H3,(H2,21,24)(H,22,25).
What are the key properties of 2-[(3-ethylsulfanylbenzoyl)amino]-6-propan-2-yl-5,7-dihydro-4H-thieno[2,3-c]pyridine-3-carboxamide?
2-[(3-ethylsulfanylbenzoyl)amino]-6-propan-2-yl-5,7-dihydro-4H-thieno[2,3-c]pyridine-3-carboxamide has a molecular weight of 403.57 g/mol, XLogP of 3.98, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(3-ethylsulfanylbenzoyl)amino]-6-propan-2-yl-5,7-dihydro-4H-thieno[2,3-c]pyridine-3-carboxamide is sourced from PubChem (CID 7578887), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).