2-[[4-[(4,4-dimethyl-1,3-oxazolidin-3-yl)sulfonyl]benzoyl]amino]-6-ethyl-N-methyl-5,7-dihydro-4H-thieno[2,3-c]pyridine-3-carboxamide

C23H30N4O5S2 — CID 5190498

IUPAC2-[[4-[(4,4-dimethyl-1,3-oxazolidin-3-yl)sulfonyl]benzoyl]amino]-6-ethyl-N-methyl-5,7-dihydro-4H-thieno[2,3-c]pyridine-3-carboxamide
SMILESCCN1CCc2c(sc(NC(=O)c3ccc(S(=O)(=O)N4COCC4(C)C)cc3)c2C(=O)NC)C1
InChIInChI=1S/C23H30N4O5S2/c1-5-26-11-10-17-18(12-26)33-22(19(17)21(29)24-4)25-20(28)15-6-8-16(9-7-15)34(30,31)27-14-32-13-23(27,2)3/h6-9H,5,10-14H2,1-4H3,(H,24,29)(H,25,28)
InChIKeyUTPRBALDQHVSMU-UHFFFAOYSA-N
MW506.65 g/mol
LogP2.49
Rot. Bonds6

About 2-[[4-[(4,4-dimethyl-1,3-oxazolidin-3-yl)sulfonyl]benzoyl]amino]-6-ethyl-N-methyl-5,7-dihydro-4H-thieno[2,3-c]pyridine-3-carboxamide

2-[[4-[(4,4-dimethyl-1,3-oxazolidin-3-yl)sulfonyl]benzoyl]amino]-6-ethyl-N-methyl-5,7-dihydro-4H-thieno[2,3-c]pyridine-3-carboxamide (PubChem CID 5190498) has the molecular formula C23H30N4O5S2 and a molecular weight of 506.65 g/mol. Its IUPAC name is 2-[[4-[(4,4-dimethyl-1,3-oxazolidin-3-yl)sulfonyl]benzoyl]amino]-6-ethyl-N-methyl-5,7-dihydro-4H-thieno[2,3-c]pyridine-3-carboxamide.

Molecular Properties

Compound Name2-[[4-[(4,4-dimethyl-1,3-oxazolidin-3-yl)sulfonyl]benzoyl]amino]-6-ethyl-N-methyl-5,7-dihydro-4H-thieno[2,3-c]pyridine-3-carboxamide
PubChem CID5190498
Molecular FormulaC23H30N4O5S2
Molecular Weight506.65 g/mol
Exact Mass506.17
IUPAC Name2-[[4-[(4,4-dimethyl-1,3-oxazolidin-3-yl)sulfonyl]benzoyl]amino]-6-ethyl-N-methyl-5,7-dihydro-4H-thieno[2,3-c]pyridine-3-carboxamide
SMILESCCN1CCc2c(sc(NC(=O)c3ccc(S(=O)(=O)N4COCC4(C)C)cc3)c2C(=O)NC)C1
InChIInChI=1S/C23H30N4O5S2/c1-5-26-11-10-17-18(12-26)33-22(19(17)21(29)24-4)25-20(28)15-6-8-16(9-7-15)34(30,31)27-14-32-13-23(27,2)3/h6-9H,5,10-14H2,1-4H3,(H,24,29)(H,25,28)
InChIKeyUTPRBALDQHVSMU-UHFFFAOYSA-N
XLogP2.49
TPSA108.05 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms34
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500506.65
LogP ≤ 52.49
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

Analyze 2-[[4-[(4,4-dimethyl-1,3-oxazolidin-3-yl)sulfonyl]benzoyl]amino]-6-ethyl-N-methyl-5,7-dihydro-4H-thieno[2,3-c]pyridine-3-carboxamide with MolForge

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Related Compounds

6-acetyl-N-carbamoyl-2-[[4-[(4,4-dimethyl-1,3-oxazolidin-3-yl)sulfonyl]benzoyl]amino]-5,7-dihydro-4H-thieno[2,3-c]pyridine-3-carboxamide
CID 4285945
2-[[4-(3,5-dimethylpiperidin-1-yl)sulfonylbenzoyl]amino]-6-ethyl-N-methyl-5,7-dihydro-4H-thieno[2,3-c]pyridine-3-carboxamide
CID 5219639
N-methyl-2-[(4-piperidin-1-ylsulfonylbenzoyl)amino]-6-propyl-5,7-dihydro-4H-thieno[2,3-c]pyridine-3-carboxamide
CID 4550367
2-[[4-[(2S,6S)-2,6-dimethylmorpholin-4-yl]sulfonylbenzoyl]amino]-N-methyl-6-propyl-5,7-dihydro-4H-thieno[2,3-c]pyridine-3-carboxamide
CID 6359701
2-[[4-(diethylsulfamoyl)benzoyl]amino]-6-ethyl-N-(methylcarbamoyl)-5,7-dihydro-4H-thieno[2,3-c]pyridine-3-carboxamide
CID 3281786
hydron;methyl 6-ethyl-2-[(4-morpholin-4-ylsulfonylbenzoyl)amino]-5,7-dihydro-4H-thieno[2,3-c]pyridine-3-carboxylate;chloride
CID 3244458
6-ethyl-N,N-dimethyl-2-[(4-piperidin-1-ylsulfonylbenzoyl)amino]-5,7-dihydro-4H-thieno[2,3-c]pyridine-3-carboxamide
CID 43951335
2-[[4-(3,4-dihydro-2H-quinolin-1-ylsulfonyl)benzoyl]amino]-6-ethyl-N-(methylcarbamoyl)-5,7-dihydro-4H-thieno[2,3-c]pyridine-3-carboxamide
CID 4146659
N-carbamoyl-2-[[4-(3,4-dihydro-1H-isoquinolin-2-ylsulfonyl)benzoyl]amino]-6-ethyl-5,7-dihydro-4H-thieno[2,3-c]pyridine-3-carboxamide
CID 3319737
2-[(4-chlorobenzoyl)amino]-6-ethyl-5,7-dihydro-4H-thieno[2,3-c]pyridine-3-carboxylic acid
CID 28861069
2-[[4-(diethylsulfamoyl)benzoyl]amino]-6-ethyl-5,7-dihydro-4H-thieno[2,3-c]pyridine-3-carboxamide;hydrochloride
CID 16806226
ethyl 6-ethyl-2-[(4-ethylsulfonylbenzoyl)amino]-5,7-dihydro-4H-thieno[2,3-c]pyridine-3-carboxylate;hydrochloride
CID 44989697

Frequently Asked Questions

What is the IUPAC name of 2-[[4-[(4,4-dimethyl-1,3-oxazolidin-3-yl)sulfonyl]benzoyl]amino]-6-ethyl-N-methyl-5,7-dihydro-4H-thieno[2,3-c]pyridine-3-carboxamide?
The IUPAC name of 2-[[4-[(4,4-dimethyl-1,3-oxazolidin-3-yl)sulfonyl]benzoyl]amino]-6-ethyl-N-methyl-5,7-dihydro-4H-thieno[2,3-c]pyridine-3-carboxamide (CID 5190498) is 2-[[4-[(4,4-dimethyl-1,3-oxazolidin-3-yl)sulfonyl]benzoyl]amino]-6-ethyl-N-methyl-5,7-dihydro-4H-thieno[2,3-c]pyridine-3-carboxamide.
What is the SMILES notation for 2-[[4-[(4,4-dimethyl-1,3-oxazolidin-3-yl)sulfonyl]benzoyl]amino]-6-ethyl-N-methyl-5,7-dihydro-4H-thieno[2,3-c]pyridine-3-carboxamide?
The canonical SMILES for 2-[[4-[(4,4-dimethyl-1,3-oxazolidin-3-yl)sulfonyl]benzoyl]amino]-6-ethyl-N-methyl-5,7-dihydro-4H-thieno[2,3-c]pyridine-3-carboxamide is CCN1CCc2c(sc(NC(=O)c3ccc(S(=O)(=O)N4COCC4(C)C)cc3)c2C(=O)NC)C1.
What is the InChIKey of 2-[[4-[(4,4-dimethyl-1,3-oxazolidin-3-yl)sulfonyl]benzoyl]amino]-6-ethyl-N-methyl-5,7-dihydro-4H-thieno[2,3-c]pyridine-3-carboxamide?
The InChIKey is UTPRBALDQHVSMU-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H30N4O5S2/c1-5-26-11-10-17-18(12-26)33-22(19(17)21(29)24-4)25-20(28)15-6-8-16(9-7-15)34(30,31)27-14-32-13-23(27,2)3/h6-9H,5,10-14H2,1-4H3,(H,24,29)(H,25,28).
What are the key properties of 2-[[4-[(4,4-dimethyl-1,3-oxazolidin-3-yl)sulfonyl]benzoyl]amino]-6-ethyl-N-methyl-5,7-dihydro-4H-thieno[2,3-c]pyridine-3-carboxamide?
2-[[4-[(4,4-dimethyl-1,3-oxazolidin-3-yl)sulfonyl]benzoyl]amino]-6-ethyl-N-methyl-5,7-dihydro-4H-thieno[2,3-c]pyridine-3-carboxamide has a molecular weight of 506.65 g/mol, XLogP of 2.49, 6 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[4-[(4,4-dimethyl-1,3-oxazolidin-3-yl)sulfonyl]benzoyl]amino]-6-ethyl-N-methyl-5,7-dihydro-4H-thieno[2,3-c]pyridine-3-carboxamide is sourced from PubChem (CID 5190498), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).