N-(dimethylcarbamoyl)-2-[(4-morpholin-4-ylsulfonylbenzoyl)amino]-6-propan-2-yl-5,7-dihydro-4H-thieno[2,3-c]pyridine-3-carboxamide

C25H33N5O6S2 — CID 4107055

IUPACN-(dimethylcarbamoyl)-2-[(4-morpholin-4-ylsulfonylbenzoyl)amino]-6-propan-2-yl-5,7-dihydro-4H-thieno[2,3-c]pyridine-3-carboxamide
SMILESCC(C)N1CCc2c(sc(NC(=O)c3ccc(S(=O)(=O)N4CCOCC4)cc3)c2C(=O)NC(=O)N(C)C)C1
InChIInChI=1S/C25H33N5O6S2/c1-16(2)29-10-9-19-20(15-29)37-24(21(19)23(32)27-25(33)28(3)4)26-22(31)17-5-7-18(8-6-17)38(34,35)30-11-13-36-14-12-30/h5-8,16H,9-15H2,1-4H3,(H,26,31)(H,27,32,33)
InChIKeyDWWHWWIAKMZGKV-UHFFFAOYSA-N
MW563.70 g/mol
LogP2.20
Rot. Bonds6

About N-(dimethylcarbamoyl)-2-[(4-morpholin-4-ylsulfonylbenzoyl)amino]-6-propan-2-yl-5,7-dihydro-4H-thieno[2,3-c]pyridine-3-carboxamide

N-(dimethylcarbamoyl)-2-[(4-morpholin-4-ylsulfonylbenzoyl)amino]-6-propan-2-yl-5,7-dihydro-4H-thieno[2,3-c]pyridine-3-carboxamide (PubChem CID 4107055) has the molecular formula C25H33N5O6S2 and a molecular weight of 563.70 g/mol. Its IUPAC name is N-(dimethylcarbamoyl)-2-[(4-morpholin-4-ylsulfonylbenzoyl)amino]-6-propan-2-yl-5,7-dihydro-4H-thieno[2,3-c]pyridine-3-carboxamide.

Molecular Properties

Compound NameN-(dimethylcarbamoyl)-2-[(4-morpholin-4-ylsulfonylbenzoyl)amino]-6-propan-2-yl-5,7-dihydro-4H-thieno[2,3-c]pyridine-3-carboxamide
PubChem CID4107055
Molecular FormulaC25H33N5O6S2
Molecular Weight563.70 g/mol
Exact Mass563.19
IUPAC NameN-(dimethylcarbamoyl)-2-[(4-morpholin-4-ylsulfonylbenzoyl)amino]-6-propan-2-yl-5,7-dihydro-4H-thieno[2,3-c]pyridine-3-carboxamide
SMILESCC(C)N1CCc2c(sc(NC(=O)c3ccc(S(=O)(=O)N4CCOCC4)cc3)c2C(=O)NC(=O)N(C)C)C1
InChIInChI=1S/C25H33N5O6S2/c1-16(2)29-10-9-19-20(15-29)37-24(21(19)23(32)27-25(33)28(3)4)26-22(31)17-5-7-18(8-6-17)38(34,35)30-11-13-36-14-12-30/h5-8,16H,9-15H2,1-4H3,(H,26,31)(H,27,32,33)
InChIKeyDWWHWWIAKMZGKV-UHFFFAOYSA-N
XLogP2.20
TPSA128.36 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds6
Heavy Atoms38
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500563.70
LogP ≤ 52.20
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 108

Analyze N-(dimethylcarbamoyl)-2-[(4-morpholin-4-ylsulfonylbenzoyl)amino]-6-propan-2-yl-5,7-dihydro-4H-thieno[2,3-c]pyridine-3-carboxamide with MolForge

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Related Compounds

N-(dimethylcarbamoyl)-6-propan-2-yl-2-[(4-pyrrolidin-1-ylsulfonylbenzoyl)amino]-5,7-dihydro-4H-thieno[2,3-c]pyridine-3-carboxamide
CID 3467884
6-benzyl-N-(dimethylcarbamoyl)-2-[(4-morpholin-4-ylsulfonylbenzoyl)amino]-5,7-dihydro-4H-thieno[2,3-c]pyridine-3-carboxamide
CID 5198823
4-morpholin-4-ylsulfonyl-N-[3-(piperidine-1-carbonyl)-6-propan-2-yl-5,7-dihydro-4H-thieno[2,3-c]pyridin-2-yl]benzamide
CID 23762100
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-(azepan-1-ylsulfonyl)benzoyl]amino]-N-carbamoyl-6-propan-2-yl-5,7-dihydro-4H-thieno[2,3-c]pyridine-3-carboxamide
CID 3495907
2-[[4-[butyl(ethyl)sulfamoyl]benzoyl]amino]-N-(dimethylcarbamoyl)-6-propan-2-yl-5,7-dihydro-4H-thieno[2,3-c]pyridine-3-carboxamide
CID 3713977
6-acetyl-2-[[4-(azepan-1-ylsulfonyl)benzoyl]amino]-N-(dimethylcarbamoyl)-5,7-dihydro-4H-thieno[2,3-c]pyridine-3-carboxamide
CID 3335123
2-[[4-[benzyl(ethyl)sulfamoyl]benzoyl]amino]-N-(dimethylcarbamoyl)-6-propan-2-yl-5,7-dihydro-4H-thieno[2,3-c]pyridine-3-carboxamide
CID 4181548
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
ethyl N-[2-[[4-(4-methylpiperidin-1-yl)sulfonylbenzoyl]amino]-6-propan-2-yl-5,7-dihydro-4H-thieno[2,3-c]pyridine-3-carbonyl]carbamate
CID 4059021
methyl N-[2-[[4-(3-methylpiperidin-1-yl)sulfonylbenzoyl]amino]-6-propan-2-yl-5,7-dihydro-4H-thieno[2,3-c]pyridine-3-carbonyl]carbamate
CID 5113342

Frequently Asked Questions

What is the IUPAC name of N-(dimethylcarbamoyl)-2-[(4-morpholin-4-ylsulfonylbenzoyl)amino]-6-propan-2-yl-5,7-dihydro-4H-thieno[2,3-c]pyridine-3-carboxamide?
The IUPAC name of N-(dimethylcarbamoyl)-2-[(4-morpholin-4-ylsulfonylbenzoyl)amino]-6-propan-2-yl-5,7-dihydro-4H-thieno[2,3-c]pyridine-3-carboxamide (CID 4107055) is N-(dimethylcarbamoyl)-2-[(4-morpholin-4-ylsulfonylbenzoyl)amino]-6-propan-2-yl-5,7-dihydro-4H-thieno[2,3-c]pyridine-3-carboxamide.
What is the SMILES notation for N-(dimethylcarbamoyl)-2-[(4-morpholin-4-ylsulfonylbenzoyl)amino]-6-propan-2-yl-5,7-dihydro-4H-thieno[2,3-c]pyridine-3-carboxamide?
The canonical SMILES for N-(dimethylcarbamoyl)-2-[(4-morpholin-4-ylsulfonylbenzoyl)amino]-6-propan-2-yl-5,7-dihydro-4H-thieno[2,3-c]pyridine-3-carboxamide is CC(C)N1CCc2c(sc(NC(=O)c3ccc(S(=O)(=O)N4CCOCC4)cc3)c2C(=O)NC(=O)N(C)C)C1.
What is the InChIKey of N-(dimethylcarbamoyl)-2-[(4-morpholin-4-ylsulfonylbenzoyl)amino]-6-propan-2-yl-5,7-dihydro-4H-thieno[2,3-c]pyridine-3-carboxamide?
The InChIKey is DWWHWWIAKMZGKV-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H33N5O6S2/c1-16(2)29-10-9-19-20(15-29)37-24(21(19)23(32)27-25(33)28(3)4)26-22(31)17-5-7-18(8-6-17)38(34,35)30-11-13-36-14-12-30/h5-8,16H,9-15H2,1-4H3,(H,26,31)(H,27,32,33).
What are the key properties of N-(dimethylcarbamoyl)-2-[(4-morpholin-4-ylsulfonylbenzoyl)amino]-6-propan-2-yl-5,7-dihydro-4H-thieno[2,3-c]pyridine-3-carboxamide?
N-(dimethylcarbamoyl)-2-[(4-morpholin-4-ylsulfonylbenzoyl)amino]-6-propan-2-yl-5,7-dihydro-4H-thieno[2,3-c]pyridine-3-carboxamide has a molecular weight of 563.70 g/mol, XLogP of 2.20, 6 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for N-(dimethylcarbamoyl)-2-[(4-morpholin-4-ylsulfonylbenzoyl)amino]-6-propan-2-yl-5,7-dihydro-4H-thieno[2,3-c]pyridine-3-carboxamide is sourced from PubChem (CID 4107055), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).