2-[[4-[cyclohexyl(methyl)sulfamoyl]benzoyl]amino]-N,N-diethyl-6-propan-2-yl-5,7-dihydro-4H-thieno[2,3-c]pyridine-3-carboxamide

C29H42N4O4S2 — CID 43951547

IUPAC2-[[4-[cyclohexyl(methyl)sulfamoyl]benzoyl]amino]-N,N-diethyl-6-propan-2-yl-5,7-dihydro-4H-thieno[2,3-c]pyridine-3-carboxamide
SMILESCCN(CC)C(=O)c1c(NC(=O)c2ccc(S(=O)(=O)N(C)C3CCCCC3)cc2)sc2c1CCN(C(C)C)C2
InChIInChI=1S/C29H42N4O4S2/c1-6-32(7-2)29(35)26-24-17-18-33(20(3)4)19-25(24)38-28(26)30-27(34)21-13-15-23(16-14-21)39(36,37)31(5)22-11-9-8-10-12-22/h13-16,20,22H,6-12,17-19H2,1-5H3,(H,30,34)
InChIKeySUUFRPOWUCCIKW-UHFFFAOYSA-N
MW574.81 g/mol
LogP5.20
Rot. Bonds9

About 2-[[4-[cyclohexyl(methyl)sulfamoyl]benzoyl]amino]-N,N-diethyl-6-propan-2-yl-5,7-dihydro-4H-thieno[2,3-c]pyridine-3-carboxamide

2-[[4-[cyclohexyl(methyl)sulfamoyl]benzoyl]amino]-N,N-diethyl-6-propan-2-yl-5,7-dihydro-4H-thieno[2,3-c]pyridine-3-carboxamide (PubChem CID 43951547) has the molecular formula C29H42N4O4S2 and a molecular weight of 574.81 g/mol. Its IUPAC name is 2-[[4-[cyclohexyl(methyl)sulfamoyl]benzoyl]amino]-N,N-diethyl-6-propan-2-yl-5,7-dihydro-4H-thieno[2,3-c]pyridine-3-carboxamide.

Molecular Properties

Compound Name2-[[4-[cyclohexyl(methyl)sulfamoyl]benzoyl]amino]-N,N-diethyl-6-propan-2-yl-5,7-dihydro-4H-thieno[2,3-c]pyridine-3-carboxamide
PubChem CID43951547
Molecular FormulaC29H42N4O4S2
Molecular Weight574.81 g/mol
Exact Mass574.26
IUPAC Name2-[[4-[cyclohexyl(methyl)sulfamoyl]benzoyl]amino]-N,N-diethyl-6-propan-2-yl-5,7-dihydro-4H-thieno[2,3-c]pyridine-3-carboxamide
SMILESCCN(CC)C(=O)c1c(NC(=O)c2ccc(S(=O)(=O)N(C)C3CCCCC3)cc2)sc2c1CCN(C(C)C)C2
InChIInChI=1S/C29H42N4O4S2/c1-6-32(7-2)29(35)26-24-17-18-33(20(3)4)19-25(24)38-28(26)30-27(34)21-13-15-23(16-14-21)39(36,37)31(5)22-11-9-8-10-12-22/h13-16,20,22H,6-12,17-19H2,1-5H3,(H,30,34)
InChIKeySUUFRPOWUCCIKW-UHFFFAOYSA-N
XLogP5.20
TPSA90.03 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds9
Heavy Atoms39
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500574.81
LogP ≤ 55.20
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze 2-[[4-[cyclohexyl(methyl)sulfamoyl]benzoyl]amino]-N,N-diethyl-6-propan-2-yl-5,7-dihydro-4H-thieno[2,3-c]pyridine-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-(azepan-1-ylsulfonyl)benzoyl]amino]-N,N-diethyl-6-propan-2-yl-5,7-dihydro-4H-thieno[2,3-c]pyridine-3-carboxamide
CID 43951564
N,N-diethyl-2-[(4-piperidin-1-ylsulfonylbenzoyl)amino]-6-propan-2-yl-5,7-dihydro-4H-thieno[2,3-c]pyridine-3-carboxamide
CID 43951551
2-[[4-[bis(2-methoxyethyl)sulfamoyl]benzoyl]amino]-N,N-diethyl-6-propan-2-yl-5,7-dihydro-4H-thieno[2,3-c]pyridine-3-carboxamide
CID 43951563
2-[[4-(3,4-dihydro-1H-isoquinolin-2-ylsulfonyl)benzoyl]amino]-N,N-diethyl-6-propan-2-yl-5,7-dihydro-4H-thieno[2,3-c]pyridine-3-carboxamide
CID 43951562
ethyl 2-[[4-[cyclohexyl(methyl)sulfamoyl]benzoyl]amino]-3-(dimethylcarbamoyl)-5,7-dihydro-4H-thieno[2,3-c]pyridine-6-carboxylate
CID 43951839
2-[[4-[butyl(methyl)sulfamoyl]benzoyl]amino]-N,N-dimethyl-6-propan-2-yl-5,7-dihydro-4H-thieno[2,3-c]pyridine-3-carboxamide
CID 43951517
N,N-dimethyl-6-propan-2-yl-2-[(4-pyrrolidin-1-ylsulfonylbenzoyl)amino]-5,7-dihydro-4H-thieno[2,3-c]pyridine-3-carboxamide
CID 43951523
2-[[4-[cyclohexyl(methyl)sulfamoyl]benzoyl]amino]-N-methyl-6-propyl-5,7-dihydro-4H-thieno[2,3-c]pyridine-3-carboxamide
CID 4122886
methyl 2-[[4-[cyclohexyl(methyl)sulfamoyl]benzoyl]amino]-6-methyl-5,7-dihydro-4H-thieno[2,3-c]pyridine-3-carboxylate
CID 3623737
ethyl 2-[[4-(dimethylsulfamoyl)benzoyl]amino]-6-propan-2-yl-5,7-dihydro-4H-thieno[2,3-c]pyridine-3-carboxylate
CID 4996331
ethyl 2-[[4-[cyclohexyl(methyl)sulfamoyl]benzoyl]amino]-3-(piperidine-1-carbonyl)-5,7-dihydro-4H-thieno[2,3-c]pyridine-6-carboxylate
CID 43951925
methyl 6-acetyl-2-[[4-[cyclohexyl(methyl)sulfamoyl]benzoyl]amino]-5,7-dihydro-4H-thieno[2,3-c]pyridine-3-carboxylate
CID 4605153

Frequently Asked Questions

What is the IUPAC name of 2-[[4-[cyclohexyl(methyl)sulfamoyl]benzoyl]amino]-N,N-diethyl-6-propan-2-yl-5,7-dihydro-4H-thieno[2,3-c]pyridine-3-carboxamide?
The IUPAC name of 2-[[4-[cyclohexyl(methyl)sulfamoyl]benzoyl]amino]-N,N-diethyl-6-propan-2-yl-5,7-dihydro-4H-thieno[2,3-c]pyridine-3-carboxamide (CID 43951547) is 2-[[4-[cyclohexyl(methyl)sulfamoyl]benzoyl]amino]-N,N-diethyl-6-propan-2-yl-5,7-dihydro-4H-thieno[2,3-c]pyridine-3-carboxamide.
What is the SMILES notation for 2-[[4-[cyclohexyl(methyl)sulfamoyl]benzoyl]amino]-N,N-diethyl-6-propan-2-yl-5,7-dihydro-4H-thieno[2,3-c]pyridine-3-carboxamide?
The canonical SMILES for 2-[[4-[cyclohexyl(methyl)sulfamoyl]benzoyl]amino]-N,N-diethyl-6-propan-2-yl-5,7-dihydro-4H-thieno[2,3-c]pyridine-3-carboxamide is CCN(CC)C(=O)c1c(NC(=O)c2ccc(S(=O)(=O)N(C)C3CCCCC3)cc2)sc2c1CCN(C(C)C)C2.
What is the InChIKey of 2-[[4-[cyclohexyl(methyl)sulfamoyl]benzoyl]amino]-N,N-diethyl-6-propan-2-yl-5,7-dihydro-4H-thieno[2,3-c]pyridine-3-carboxamide?
The InChIKey is SUUFRPOWUCCIKW-UHFFFAOYSA-N. The full InChI is InChI=1S/C29H42N4O4S2/c1-6-32(7-2)29(35)26-24-17-18-33(20(3)4)19-25(24)38-28(26)30-27(34)21-13-15-23(16-14-21)39(36,37)31(5)22-11-9-8-10-12-22/h13-16,20,22H,6-12,17-19H2,1-5H3,(H,30,34).
What are the key properties of 2-[[4-[cyclohexyl(methyl)sulfamoyl]benzoyl]amino]-N,N-diethyl-6-propan-2-yl-5,7-dihydro-4H-thieno[2,3-c]pyridine-3-carboxamide?
2-[[4-[cyclohexyl(methyl)sulfamoyl]benzoyl]amino]-N,N-diethyl-6-propan-2-yl-5,7-dihydro-4H-thieno[2,3-c]pyridine-3-carboxamide has a molecular weight of 574.81 g/mol, XLogP of 5.20, 9 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[4-[cyclohexyl(methyl)sulfamoyl]benzoyl]amino]-N,N-diethyl-6-propan-2-yl-5,7-dihydro-4H-thieno[2,3-c]pyridine-3-carboxamide is sourced from PubChem (CID 43951547), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).