2-[[(4-chlorophenyl)-methylcarbamoyl]amino]-6-ethyl-6-methyl-5,7-dihydro-4H-thieno[2,3-c]pyridin-6-ium-3-carboxamide

C19H24ClN4O2S+ — CID 118307316

IUPAC2-[[(4-chlorophenyl)-methylcarbamoyl]amino]-6-ethyl-6-methyl-5,7-dihydro-4H-thieno[2,3-c]pyridin-6-ium-3-carboxamide
SMILESCC[N+]1(C)CCc2c(sc(NC(=O)N(C)c3ccc(Cl)cc3)c2C(N)=O)C1
InChIInChI=1S/C19H23ClN4O2S/c1-4-24(3)10-9-14-15(11-24)27-18(16(14)17(21)25)22-19(26)23(2)13-7-5-12(20)6-8-13/h5-8H,4,9-11H2,1-3H3,(H2-,21,22,25,26)/p+1
InChIKeyLGQFPXZFUAOSPI-UHFFFAOYSA-O
MW407.95 g/mol
LogP3.69
Rot. Bonds4

About 2-[[(4-chlorophenyl)-methylcarbamoyl]amino]-6-ethyl-6-methyl-5,7-dihydro-4H-thieno[2,3-c]pyridin-6-ium-3-carboxamide

2-[[(4-chlorophenyl)-methylcarbamoyl]amino]-6-ethyl-6-methyl-5,7-dihydro-4H-thieno[2,3-c]pyridin-6-ium-3-carboxamide (PubChem CID 118307316) has the molecular formula C19H24ClN4O2S+ and a molecular weight of 407.95 g/mol. Its IUPAC name is 2-[[(4-chlorophenyl)-methylcarbamoyl]amino]-6-ethyl-6-methyl-5,7-dihydro-4H-thieno[2,3-c]pyridin-6-ium-3-carboxamide.

Molecular Properties

Compound Name2-[[(4-chlorophenyl)-methylcarbamoyl]amino]-6-ethyl-6-methyl-5,7-dihydro-4H-thieno[2,3-c]pyridin-6-ium-3-carboxamide
PubChem CID118307316
Molecular FormulaC19H24ClN4O2S+
Molecular Weight407.95 g/mol
Exact Mass407.13
IUPAC Name2-[[(4-chlorophenyl)-methylcarbamoyl]amino]-6-ethyl-6-methyl-5,7-dihydro-4H-thieno[2,3-c]pyridin-6-ium-3-carboxamide
SMILESCC[N+]1(C)CCc2c(sc(NC(=O)N(C)c3ccc(Cl)cc3)c2C(N)=O)C1
InChIInChI=1S/C19H23ClN4O2S/c1-4-24(3)10-9-14-15(11-24)27-18(16(14)17(21)25)22-19(26)23(2)13-7-5-12(20)6-8-13/h5-8H,4,9-11H2,1-3H3,(H2-,21,22,25,26)/p+1
InChIKeyLGQFPXZFUAOSPI-UHFFFAOYSA-O
XLogP3.69
TPSA75.43 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500407.95
LogP ≤ 53.69
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'quaternary_nitrogen_2', 'substructure': 'N/A'}

Analyze 2-[[(4-chlorophenyl)-methylcarbamoyl]amino]-6-ethyl-6-methyl-5,7-dihydro-4H-thieno[2,3-c]pyridin-6-ium-3-carboxamide 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-chlorophenyl)carbamoylamino]-6-[3-(dimethylamino)-3-oxopropyl]-6-methyl-5,7-dihydro-4H-thieno[2,3-c]pyridin-6-ium-3-carboxamide
CID 118307260
2-[(4-chlorophenyl)carbamoylamino]-6-[3-(dimethylamino)-3-oxopropyl]-6-methyl-5,7-dihydro-4H-thieno[2,3-c]pyridin-6-ium-3-carboxamide chloride
CID 118307259
2-[(4-chlorophenyl)carbamoylamino]-6-(2-hydroxyethyl)-6-methyl-5,7-dihydro-4H-thieno[2,3-c]pyridin-6-ium-3-carboxamide iodide
CID 118307427
4-chloro-N-methylaniline;6,6-diethyl-2-formamido-5,7-dihydro-4H-thieno[2,3-c]pyridin-6-ium-3-carboxamide;ethane
CID 144600007
2-[[2-[[2-(4-chloroanilino)-2-oxoethyl]-methylamino]acetyl]amino]-5,6-dihydro-4H-cyclopenta[b]thiophene-3-carboxamide
CID 9167371
2-[(4-chlorophenyl)carbamoylamino]-6-methyl-6-propan-2-yl-5,7-dihydro-4H-thieno[2,3-c]pyridin-6-ium-3-carboxamide iodide
CID 118269730
2-[(4-chlorophenyl)carbamoylamino]-6-methyl-6-(oxetan-3-yl)-5,7-dihydro-4H-thieno[2,3-c]pyridin-6-ium-3-carboxamide iodide
CID 118307396
(2,2,2-trifluoroacetyl) 4-[3-carbamoyl-2-[(4-chlorophenyl)carbamoylamino]-6-methyl-5,7-dihydro-4H-thieno[2,3-c]pyridin-6-ium-6-yl]butanoate
CID 118307304
2-[[(4-chlorophenyl)-methylcarbamoyl]amino]-5-ethyl-4-[2-[ethyl(methyl)amino]ethyl]thiophene-3-carboxamide
CID 118321291
2-[(4-chloronaphthalen-1-yl)carbamoylamino]-6-(2,2-dimethylpropyl)-6-methyl-5,7-dihydro-4H-thieno[2,3-c]pyridin-6-ium-3-carboxamide chloride
CID 118307358
2-[3-(4-chlorophenyl)-2-oxopropyl]-6-(cyclopropylmethyl)-6-methyl-5,7-dihydro-4H-thieno[2,3-c]pyridin-6-ium-3-carboxamide iodide
CID 161116227
6-(cyclopropylmethyl)-2-formamido-6-methyl-5,7-dihydro-4H-thieno[2,3-c]pyridin-6-ium-3-carboxamide
CID 144599925

Frequently Asked Questions

What is the IUPAC name of 2-[[(4-chlorophenyl)-methylcarbamoyl]amino]-6-ethyl-6-methyl-5,7-dihydro-4H-thieno[2,3-c]pyridin-6-ium-3-carboxamide?
The IUPAC name of 2-[[(4-chlorophenyl)-methylcarbamoyl]amino]-6-ethyl-6-methyl-5,7-dihydro-4H-thieno[2,3-c]pyridin-6-ium-3-carboxamide (CID 118307316) is 2-[[(4-chlorophenyl)-methylcarbamoyl]amino]-6-ethyl-6-methyl-5,7-dihydro-4H-thieno[2,3-c]pyridin-6-ium-3-carboxamide.
What is the SMILES notation for 2-[[(4-chlorophenyl)-methylcarbamoyl]amino]-6-ethyl-6-methyl-5,7-dihydro-4H-thieno[2,3-c]pyridin-6-ium-3-carboxamide?
The canonical SMILES for 2-[[(4-chlorophenyl)-methylcarbamoyl]amino]-6-ethyl-6-methyl-5,7-dihydro-4H-thieno[2,3-c]pyridin-6-ium-3-carboxamide is CC[N+]1(C)CCc2c(sc(NC(=O)N(C)c3ccc(Cl)cc3)c2C(N)=O)C1.
What is the InChIKey of 2-[[(4-chlorophenyl)-methylcarbamoyl]amino]-6-ethyl-6-methyl-5,7-dihydro-4H-thieno[2,3-c]pyridin-6-ium-3-carboxamide?
The InChIKey is LGQFPXZFUAOSPI-UHFFFAOYSA-O. The full InChI is InChI=1S/C19H23ClN4O2S/c1-4-24(3)10-9-14-15(11-24)27-18(16(14)17(21)25)22-19(26)23(2)13-7-5-12(20)6-8-13/h5-8H,4,9-11H2,1-3H3,(H2-,21,22,25,26)/p+1.
What are the key properties of 2-[[(4-chlorophenyl)-methylcarbamoyl]amino]-6-ethyl-6-methyl-5,7-dihydro-4H-thieno[2,3-c]pyridin-6-ium-3-carboxamide?
2-[[(4-chlorophenyl)-methylcarbamoyl]amino]-6-ethyl-6-methyl-5,7-dihydro-4H-thieno[2,3-c]pyridin-6-ium-3-carboxamide has a molecular weight of 407.95 g/mol, XLogP of 3.69, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[(4-chlorophenyl)-methylcarbamoyl]amino]-6-ethyl-6-methyl-5,7-dihydro-4H-thieno[2,3-c]pyridin-6-ium-3-carboxamide is sourced from PubChem (CID 118307316), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).