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

C20H26ClN3O4S — CID 16806268

IUPAC2-[(3,5-dimethoxybenzoyl)amino]-6-propan-2-yl-5,7-dihydro-4H-thieno[2,3-c]pyridine-3-carboxamide;hydrochloride
SMILESCOc1cc(OC)cc(C(=O)Nc2sc3c(c2C(N)=O)CCN(C(C)C)C3)c1.Cl
InChIInChI=1S/C20H25N3O4S.ClH/c1-11(2)23-6-5-15-16(10-23)28-20(17(15)18(21)24)22-19(25)12-7-13(26-3)9-14(8-12)27-4;/h7-9,11H,5-6,10H2,1-4H3,(H2,21,24)(H,22,25);1H
InChIKeyNAPMCZBBYCSNPC-UHFFFAOYSA-N
MW439.97 g/mol
LogP3.30
Rot. Bonds6

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

2-[(3,5-dimethoxybenzoyl)amino]-6-propan-2-yl-5,7-dihydro-4H-thieno[2,3-c]pyridine-3-carboxamide;hydrochloride (PubChem CID 16806268) has the molecular formula C20H26ClN3O4S and a molecular weight of 439.97 g/mol. Its IUPAC name is 2-[(3,5-dimethoxybenzoyl)amino]-6-propan-2-yl-5,7-dihydro-4H-thieno[2,3-c]pyridine-3-carboxamide;hydrochloride.

Molecular Properties

Compound Name2-[(3,5-dimethoxybenzoyl)amino]-6-propan-2-yl-5,7-dihydro-4H-thieno[2,3-c]pyridine-3-carboxamide;hydrochloride
PubChem CID16806268
Molecular FormulaC20H26ClN3O4S
Molecular Weight439.97 g/mol
Exact Mass439.13
IUPAC Name2-[(3,5-dimethoxybenzoyl)amino]-6-propan-2-yl-5,7-dihydro-4H-thieno[2,3-c]pyridine-3-carboxamide;hydrochloride
SMILESCOc1cc(OC)cc(C(=O)Nc2sc3c(c2C(N)=O)CCN(C(C)C)C3)c1.Cl
InChIInChI=1S/C20H25N3O4S.ClH/c1-11(2)23-6-5-15-16(10-23)28-20(17(15)18(21)24)22-19(25)12-7-13(26-3)9-14(8-12)27-4;/h7-9,11H,5-6,10H2,1-4H3,(H2,21,24)(H,22,25);1H
InChIKeyNAPMCZBBYCSNPC-UHFFFAOYSA-N
XLogP3.30
TPSA93.89 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500439.97
LogP ≤ 53.30
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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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-cyanobenzoyl)amino]-6-propan-2-yl-5,7-dihydro-4H-thieno[2,3-c]pyridine-3-carboxamide;hydrochloride
CID 16806305
2-[(4-benzoylbenzoyl)amino]-6-propan-2-yl-5,7-dihydro-4H-thieno[2,3-c]pyridine-3-carboxamide
CID 4520692
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
methyl 2-[(3,5-dichlorobenzoyl)amino]-6-propan-2-yl-5,7-dihydro-4H-thieno[2,3-c]pyridine-3-carboxylate
CID 4201460
2-(propanoylamino)-6-propan-2-yl-5,7-dihydro-4H-thieno[2,3-c]pyridine-3-carboxamide
CID 4154428
2-[(4,6-dimethoxy-1,3-benzothiazol-2-yl)amino]-6-propan-2-yl-5,7-dihydro-4H-thieno[2,3-c]pyridine-3-carboxamide
CID 43968709
2-[(3-ethylsulfanylbenzoyl)amino]-6-propan-2-yl-5,7-dihydro-4H-thieno[2,3-c]pyridine-3-carboxamide
CID 7578887
N-(3-cyano-6-propan-2-yl-5,7-dihydro-4H-thieno[2,3-c]pyridin-2-yl)-4-methoxybenzamide
CID 3714895
methyl 2-(naphthalene-2-carbonylamino)-6-propan-2-yl-5,7-dihydro-4H-thieno[2,3-c]pyridine-3-carboxylate
CID 4050209
dimethyl 2-[(3,5-dimethoxybenzoyl)amino]-5,7-dihydro-4H-thieno[2,3-c]pyridine-3,6-dicarboxylate
CID 41017916

Frequently Asked Questions

What is the IUPAC name of 2-[(3,5-dimethoxybenzoyl)amino]-6-propan-2-yl-5,7-dihydro-4H-thieno[2,3-c]pyridine-3-carboxamide;hydrochloride?
The IUPAC name of 2-[(3,5-dimethoxybenzoyl)amino]-6-propan-2-yl-5,7-dihydro-4H-thieno[2,3-c]pyridine-3-carboxamide;hydrochloride (CID 16806268) is 2-[(3,5-dimethoxybenzoyl)amino]-6-propan-2-yl-5,7-dihydro-4H-thieno[2,3-c]pyridine-3-carboxamide;hydrochloride.
What is the SMILES notation for 2-[(3,5-dimethoxybenzoyl)amino]-6-propan-2-yl-5,7-dihydro-4H-thieno[2,3-c]pyridine-3-carboxamide;hydrochloride?
The canonical SMILES for 2-[(3,5-dimethoxybenzoyl)amino]-6-propan-2-yl-5,7-dihydro-4H-thieno[2,3-c]pyridine-3-carboxamide;hydrochloride is COc1cc(OC)cc(C(=O)Nc2sc3c(c2C(N)=O)CCN(C(C)C)C3)c1.Cl.
What is the InChIKey of 2-[(3,5-dimethoxybenzoyl)amino]-6-propan-2-yl-5,7-dihydro-4H-thieno[2,3-c]pyridine-3-carboxamide;hydrochloride?
The InChIKey is NAPMCZBBYCSNPC-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H25N3O4S.ClH/c1-11(2)23-6-5-15-16(10-23)28-20(17(15)18(21)24)22-19(25)12-7-13(26-3)9-14(8-12)27-4;/h7-9,11H,5-6,10H2,1-4H3,(H2,21,24)(H,22,25);1H.
What are the key properties of 2-[(3,5-dimethoxybenzoyl)amino]-6-propan-2-yl-5,7-dihydro-4H-thieno[2,3-c]pyridine-3-carboxamide;hydrochloride?
2-[(3,5-dimethoxybenzoyl)amino]-6-propan-2-yl-5,7-dihydro-4H-thieno[2,3-c]pyridine-3-carboxamide;hydrochloride has a molecular weight of 439.97 g/mol, XLogP of 3.30, 6 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(3,5-dimethoxybenzoyl)amino]-6-propan-2-yl-5,7-dihydro-4H-thieno[2,3-c]pyridine-3-carboxamide;hydrochloride is sourced from PubChem (CID 16806268), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).