2-[(4-chlorophenyl)carbamoylamino]-N-(cyclopropylmethyl)-6-ethyl-5,7-dihydro-4H-thieno[2,3-c]pyridine-3-carboxamide;hydrochloride

C21H26Cl2N4O2S — CID 118307433

IUPAC2-[(4-chlorophenyl)carbamoylamino]-N-(cyclopropylmethyl)-6-ethyl-5,7-dihydro-4H-thieno[2,3-c]pyridine-3-carboxamide;hydrochloride
SMILESCCN1CCc2c(sc(NC(=O)Nc3ccc(Cl)cc3)c2C(=O)NCC2CC2)C1.Cl
InChIInChI=1S/C21H25ClN4O2S.ClH/c1-2-26-10-9-16-17(12-26)29-20(18(16)19(27)23-11-13-3-4-13)25-21(28)24-15-7-5-14(22)6-8-15;/h5-8,13H,2-4,9-12H2,1H3,(H,23,27)(H2,24,25,28);1H
InChIKeyCULNSDRQMKYVTC-UHFFFAOYSA-N
MW469.44 g/mol
LogP4.99
Rot. Bonds6

About 2-[(4-chlorophenyl)carbamoylamino]-N-(cyclopropylmethyl)-6-ethyl-5,7-dihydro-4H-thieno[2,3-c]pyridine-3-carboxamide;hydrochloride

2-[(4-chlorophenyl)carbamoylamino]-N-(cyclopropylmethyl)-6-ethyl-5,7-dihydro-4H-thieno[2,3-c]pyridine-3-carboxamide;hydrochloride (PubChem CID 118307433) has the molecular formula C21H26Cl2N4O2S and a molecular weight of 469.44 g/mol. Its IUPAC name is 2-[(4-chlorophenyl)carbamoylamino]-N-(cyclopropylmethyl)-6-ethyl-5,7-dihydro-4H-thieno[2,3-c]pyridine-3-carboxamide;hydrochloride.

Molecular Properties

Compound Name2-[(4-chlorophenyl)carbamoylamino]-N-(cyclopropylmethyl)-6-ethyl-5,7-dihydro-4H-thieno[2,3-c]pyridine-3-carboxamide;hydrochloride
PubChem CID118307433
Molecular FormulaC21H26Cl2N4O2S
Molecular Weight469.44 g/mol
Exact Mass468.12
IUPAC Name2-[(4-chlorophenyl)carbamoylamino]-N-(cyclopropylmethyl)-6-ethyl-5,7-dihydro-4H-thieno[2,3-c]pyridine-3-carboxamide;hydrochloride
SMILESCCN1CCc2c(sc(NC(=O)Nc3ccc(Cl)cc3)c2C(=O)NCC2CC2)C1.Cl
InChIInChI=1S/C21H25ClN4O2S.ClH/c1-2-26-10-9-16-17(12-26)29-20(18(16)19(27)23-11-13-3-4-13)25-21(28)24-15-7-5-14(22)6-8-15;/h5-8,13H,2-4,9-12H2,1H3,(H,23,27)(H2,24,25,28);1H
InChIKeyCULNSDRQMKYVTC-UHFFFAOYSA-N
XLogP4.99
TPSA73.47 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500469.44
LogP ≤ 54.99
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Analyze 2-[(4-chlorophenyl)carbamoylamino]-N-(cyclopropylmethyl)-6-ethyl-5,7-dihydro-4H-thieno[2,3-c]pyridine-3-carboxamide;hydrochloride with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2-[(4-chlorobenzoyl)amino]-6-ethyl-5,7-dihydro-4H-thieno[2,3-c]pyridine-3-carboxylic acid
CID 28861069
2-[(3,4-difluorophenyl)carbamoylamino]-6-ethyl-5,7-dihydro-4H-thieno[2,3-c]pyridine-3-carboxamide
CID 118307448
2-acetamido-N-(2-aminoethyl)-6-ethyl-5,7-dihydro-4H-thieno[2,3-c]pyridine-3-carboxamide
CID 39162883
6-ethyl-2-(pyridin-3-ylcarbamoylamino)-5,7-dihydro-4H-thieno[2,3-c]pyridine-3-carboxamide;dihydrochloride
CID 118270490
ethyl 6-ethyl-2-[(2-fluorophenyl)carbamoylamino]-5,7-dihydro-4H-thieno[2,3-c]pyridine-3-carboxylate
CID 9452273
2-[(3-chlorophenyl)methylcarbamoylamino]-6-ethyl-5,7-dihydro-4H-thieno[2,3-c]pyridine-3-carboxamide
CID 118307342
ethyl 2-[(5-chlorothiophene-2-carbonyl)amino]-6-ethyl-5,7-dihydro-4H-thieno[2,3-c]pyridine-3-carboxylate
CID 3344598
2-acetamido-6-ethyl-5,7-dihydro-4H-thieno[2,3-c]pyridine-3-carboxamide
CID 4054678
methyl 6-ethyl-2-[(4-methylsulfanylbenzoyl)amino]-5,7-dihydro-4H-thieno[2,3-c]pyridine-3-carboxylate;hydrochloride
CID 44987429
ethyl 6-benzyl-2-[(3,4-dichlorophenyl)carbamoylamino]-5,7-dihydro-4H-thieno[2,3-c]pyridine-3-carboxylate
CID 17079029
2-[3-(4-chlorophenyl)sulfonylpropanoylamino]-6-ethyl-5,7-dihydro-4H-thieno[2,3-c]pyridine-3-carboxamide;hydrochloride
CID 16832989
ethyl 2-[(3,4-difluorobenzoyl)amino]-6-ethyl-5,7-dihydro-4H-thieno[2,3-c]pyridine-3-carboxylate
CID 43949958

Frequently Asked Questions

What is the IUPAC name of 2-[(4-chlorophenyl)carbamoylamino]-N-(cyclopropylmethyl)-6-ethyl-5,7-dihydro-4H-thieno[2,3-c]pyridine-3-carboxamide;hydrochloride?
The IUPAC name of 2-[(4-chlorophenyl)carbamoylamino]-N-(cyclopropylmethyl)-6-ethyl-5,7-dihydro-4H-thieno[2,3-c]pyridine-3-carboxamide;hydrochloride (CID 118307433) is 2-[(4-chlorophenyl)carbamoylamino]-N-(cyclopropylmethyl)-6-ethyl-5,7-dihydro-4H-thieno[2,3-c]pyridine-3-carboxamide;hydrochloride.
What is the SMILES notation for 2-[(4-chlorophenyl)carbamoylamino]-N-(cyclopropylmethyl)-6-ethyl-5,7-dihydro-4H-thieno[2,3-c]pyridine-3-carboxamide;hydrochloride?
The canonical SMILES for 2-[(4-chlorophenyl)carbamoylamino]-N-(cyclopropylmethyl)-6-ethyl-5,7-dihydro-4H-thieno[2,3-c]pyridine-3-carboxamide;hydrochloride is CCN1CCc2c(sc(NC(=O)Nc3ccc(Cl)cc3)c2C(=O)NCC2CC2)C1.Cl.
What is the InChIKey of 2-[(4-chlorophenyl)carbamoylamino]-N-(cyclopropylmethyl)-6-ethyl-5,7-dihydro-4H-thieno[2,3-c]pyridine-3-carboxamide;hydrochloride?
The InChIKey is CULNSDRQMKYVTC-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H25ClN4O2S.ClH/c1-2-26-10-9-16-17(12-26)29-20(18(16)19(27)23-11-13-3-4-13)25-21(28)24-15-7-5-14(22)6-8-15;/h5-8,13H,2-4,9-12H2,1H3,(H,23,27)(H2,24,25,28);1H.
What are the key properties of 2-[(4-chlorophenyl)carbamoylamino]-N-(cyclopropylmethyl)-6-ethyl-5,7-dihydro-4H-thieno[2,3-c]pyridine-3-carboxamide;hydrochloride?
2-[(4-chlorophenyl)carbamoylamino]-N-(cyclopropylmethyl)-6-ethyl-5,7-dihydro-4H-thieno[2,3-c]pyridine-3-carboxamide;hydrochloride has a molecular weight of 469.44 g/mol, XLogP of 4.99, 6 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(4-chlorophenyl)carbamoylamino]-N-(cyclopropylmethyl)-6-ethyl-5,7-dihydro-4H-thieno[2,3-c]pyridine-3-carboxamide;hydrochloride is sourced from PubChem (CID 118307433), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).