2-amino-N-[3-(2-chlorophenyl)-6-(cyclopropanecarbonyl)-5,7-dihydro-4H-thieno[2,3-c]pyridin-2-yl]propanamide

C20H22ClN3O2S — CID 18995693

IUPAC2-amino-N-[3-(2-chlorophenyl)-6-(cyclopropanecarbonyl)-5,7-dihydro-4H-thieno[2,3-c]pyridin-2-yl]propanamide
SMILESCC(N)C(=O)Nc1sc2c(c1-c1ccccc1Cl)CCN(C(=O)C1CC1)C2
InChIInChI=1S/C20H22ClN3O2S/c1-11(22)18(25)23-19-17(13-4-2-3-5-15(13)21)14-8-9-24(10-16(14)27-19)20(26)12-6-7-12/h2-5,11-12H,6-10,22H2,1H3,(H,23,25)
InChIKeyCEDVPPPAPGMYPX-UHFFFAOYSA-N
MW403.94 g/mol
LogP3.65
Rot. Bonds4

About 2-amino-N-[3-(2-chlorophenyl)-6-(cyclopropanecarbonyl)-5,7-dihydro-4H-thieno[2,3-c]pyridin-2-yl]propanamide

2-amino-N-[3-(2-chlorophenyl)-6-(cyclopropanecarbonyl)-5,7-dihydro-4H-thieno[2,3-c]pyridin-2-yl]propanamide (PubChem CID 18995693) has the molecular formula C20H22ClN3O2S and a molecular weight of 403.94 g/mol. Its IUPAC name is 2-amino-N-[3-(2-chlorophenyl)-6-(cyclopropanecarbonyl)-5,7-dihydro-4H-thieno[2,3-c]pyridin-2-yl]propanamide.

Molecular Properties

Compound Name2-amino-N-[3-(2-chlorophenyl)-6-(cyclopropanecarbonyl)-5,7-dihydro-4H-thieno[2,3-c]pyridin-2-yl]propanamide
PubChem CID18995693
Molecular FormulaC20H22ClN3O2S
Molecular Weight403.94 g/mol
Exact Mass403.11
IUPAC Name2-amino-N-[3-(2-chlorophenyl)-6-(cyclopropanecarbonyl)-5,7-dihydro-4H-thieno[2,3-c]pyridin-2-yl]propanamide
SMILESCC(N)C(=O)Nc1sc2c(c1-c1ccccc1Cl)CCN(C(=O)C1CC1)C2
InChIInChI=1S/C20H22ClN3O2S/c1-11(22)18(25)23-19-17(13-4-2-3-5-15(13)21)14-8-9-24(10-16(14)27-19)20(26)12-6-7-12/h2-5,11-12H,6-10,22H2,1H3,(H,23,25)
InChIKeyCEDVPPPAPGMYPX-UHFFFAOYSA-N
XLogP3.65
TPSA75.43 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500403.94
LogP ≤ 53.65
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

but-3-ynyl 2-(2-aminopropanoylamino)-3-(2-chlorobenzoyl)-5,7-dihydro-4H-thieno[2,3-c]pyridine-6-carboxylate
CID 14994964
ethyl 6-acetyl-2-[(2-chlorobenzoyl)amino]-5,7-dihydro-4H-thieno[2,3-c]pyridine-3-carboxylate
CID 4667439
ethyl 6-acetyl-2-[[3-(2-chlorophenyl)-5-methyl-1,2-oxazole-4-carbonyl]amino]-5,7-dihydro-4H-thieno[2,3-c]pyridine-3-carboxylate
CID 43950195
methyl 6-acetyl-2-[[2-(2-chlorophenyl)acetyl]amino]-5,7-dihydro-4H-thieno[2,3-c]pyridine-3-carboxylate
CID 43950289
2-[(2-chlorobenzoyl)amino]-6-N-(2-chlorophenyl)-5,7-dihydro-4H-thieno[2,3-c]pyridine-3,6-dicarboxamide
CID 155522047
6-acetyl-2-[(5-chlorothiophene-2-carbonyl)amino]-5,7-dihydro-4H-thieno[2,3-c]pyridine-3-carboxamide
CID 4119778
N-[6-acetyl-3-(1,3-benzothiazol-2-yl)-5,7-dihydro-4H-thieno[2,3-c]pyridin-2-yl]-4-butylcyclohexane-1-carboxamide
CID 43950773
6-acetyl-2-[(2,4-dichlorobenzoyl)amino]-5,7-dihydro-4H-thieno[2,3-c]pyridine-3-carboxamide
CID 3264153
methyl 3-(1,3-benzothiazol-2-yl)-2-[(2,2-diphenylacetyl)amino]-5,7-dihydro-4H-thieno[2,3-c]pyridine-6-carboxylate
CID 43993820
ethyl (5S)-5-(2,6-dichlorophenyl)-3-oxo-8-thia-4,6,11-triazatricyclo[7.4.0.02,7]trideca-1(9),2(7)-diene-11-carboxylate
CID 40796456
N-(3-carbamoyl-6-methyl-5,7-dihydro-4H-thieno[2,3-c]pyridin-2-yl)-3-(2-chlorophenyl)-5-methyl-1,2-oxazole-4-carboxamide;hydrochloride
CID 71778335
N-(6-acetyl-3-cyano-5,7-dihydro-4H-thieno[2,3-c]pyridin-2-yl)-2-phenoxypropanamide
CID 43950822

Frequently Asked Questions

What is the IUPAC name of 2-amino-N-[3-(2-chlorophenyl)-6-(cyclopropanecarbonyl)-5,7-dihydro-4H-thieno[2,3-c]pyridin-2-yl]propanamide?
The IUPAC name of 2-amino-N-[3-(2-chlorophenyl)-6-(cyclopropanecarbonyl)-5,7-dihydro-4H-thieno[2,3-c]pyridin-2-yl]propanamide (CID 18995693) is 2-amino-N-[3-(2-chlorophenyl)-6-(cyclopropanecarbonyl)-5,7-dihydro-4H-thieno[2,3-c]pyridin-2-yl]propanamide.
What is the SMILES notation for 2-amino-N-[3-(2-chlorophenyl)-6-(cyclopropanecarbonyl)-5,7-dihydro-4H-thieno[2,3-c]pyridin-2-yl]propanamide?
The canonical SMILES for 2-amino-N-[3-(2-chlorophenyl)-6-(cyclopropanecarbonyl)-5,7-dihydro-4H-thieno[2,3-c]pyridin-2-yl]propanamide is CC(N)C(=O)Nc1sc2c(c1-c1ccccc1Cl)CCN(C(=O)C1CC1)C2.
What is the InChIKey of 2-amino-N-[3-(2-chlorophenyl)-6-(cyclopropanecarbonyl)-5,7-dihydro-4H-thieno[2,3-c]pyridin-2-yl]propanamide?
The InChIKey is CEDVPPPAPGMYPX-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H22ClN3O2S/c1-11(22)18(25)23-19-17(13-4-2-3-5-15(13)21)14-8-9-24(10-16(14)27-19)20(26)12-6-7-12/h2-5,11-12H,6-10,22H2,1H3,(H,23,25).
What are the key properties of 2-amino-N-[3-(2-chlorophenyl)-6-(cyclopropanecarbonyl)-5,7-dihydro-4H-thieno[2,3-c]pyridin-2-yl]propanamide?
2-amino-N-[3-(2-chlorophenyl)-6-(cyclopropanecarbonyl)-5,7-dihydro-4H-thieno[2,3-c]pyridin-2-yl]propanamide has a molecular weight of 403.94 g/mol, XLogP of 3.65, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-N-[3-(2-chlorophenyl)-6-(cyclopropanecarbonyl)-5,7-dihydro-4H-thieno[2,3-c]pyridin-2-yl]propanamide is sourced from PubChem (CID 18995693), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).