N,N'-bis[3-cyano-5-(diethylcarbamoyl)-4-methylthiophen-2-yl]butanediamide

C26H32N6O4S2 — CID 4609681

IUPACN,N'-bis[3-cyano-5-(diethylcarbamoyl)-4-methylthiophen-2-yl]butanediamide
SMILESCCN(CC)C(=O)c1sc(NC(=O)CCC(=O)Nc2sc(C(=O)N(CC)CC)c(C)c2C#N)c(C#N)c1C
InChIInChI=1S/C26H32N6O4S2/c1-7-31(8-2)25(35)21-15(5)17(13-27)23(37-21)29-19(33)11-12-20(34)30-24-18(14-28)16(6)22(38-24)26(36)32(9-3)10-4/h7-12H2,1-6H3,(H,29,33)(H,30,34)
InChIKeyUGTQZXAWQUCMKV-UHFFFAOYSA-N
MW556.71 g/mol
LogP4.49
Rot. Bonds11

About N,N'-bis[3-cyano-5-(diethylcarbamoyl)-4-methylthiophen-2-yl]butanediamide

N,N'-bis[3-cyano-5-(diethylcarbamoyl)-4-methylthiophen-2-yl]butanediamide (PubChem CID 4609681) has the molecular formula C26H32N6O4S2 and a molecular weight of 556.71 g/mol. Its IUPAC name is N,N'-bis[3-cyano-5-(diethylcarbamoyl)-4-methylthiophen-2-yl]butanediamide.

Molecular Properties

Compound NameN,N'-bis[3-cyano-5-(diethylcarbamoyl)-4-methylthiophen-2-yl]butanediamide
PubChem CID4609681
Molecular FormulaC26H32N6O4S2
Molecular Weight556.71 g/mol
Exact Mass556.19
IUPAC NameN,N'-bis[3-cyano-5-(diethylcarbamoyl)-4-methylthiophen-2-yl]butanediamide
SMILESCCN(CC)C(=O)c1sc(NC(=O)CCC(=O)Nc2sc(C(=O)N(CC)CC)c(C)c2C#N)c(C#N)c1C
InChIInChI=1S/C26H32N6O4S2/c1-7-31(8-2)25(35)21-15(5)17(13-27)23(37-21)29-19(33)11-12-20(34)30-24-18(14-28)16(6)22(38-24)26(36)32(9-3)10-4/h7-12H2,1-6H3,(H,29,33)(H,30,34)
InChIKeyUGTQZXAWQUCMKV-UHFFFAOYSA-N
XLogP4.49
TPSA146.40 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds11
Heavy Atoms38
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500556.71
LogP ≤ 54.49
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 108

Analyze N,N'-bis[3-cyano-5-(diethylcarbamoyl)-4-methylthiophen-2-yl]butanediamide 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

5-[(5-chlorothiophene-2-carbonyl)amino]-4-cyano-N,N-diethyl-3-methylthiophene-2-carboxamide
CID 5107734
4-cyano-5-[[2-(2,4-dichlorophenoxy)acetyl]amino]-N,N-diethyl-3-methylthiophene-2-carboxamide
CID 1131537
N-[3-cyano-5-(diethylcarbamoyl)-4-methylthiophen-2-yl]-2-methylfuran-3-carboxamide
CID 3559996
4-cyano-N,N-diethyl-3-methyl-5-[(3-methylbenzoyl)amino]thiophene-2-carboxamide
CID 1040259
methyl 4-cyano-5-(dodecanoylamino)-3-methylthiophene-2-carboxylate
CID 3554452
methyl 4-cyano-3-methyl-5-(nonanoylamino)thiophene-2-carboxylate
CID 4586360
4-cyano-N,N-diethyl-3-methyl-5-[(3,4,5-triethoxybenzoyl)amino]thiophene-2-carboxamide
CID 3766067
4-cyano-5-[(3,4-dimethoxybenzoyl)amino]-N,N-diethyl-3-methylthiophene-2-carboxamide
CID 1131492
4-cyano-5-(2-ethylbutanoylamino)-N,N,3-trimethylthiophene-2-carboxamide
CID 10402972
4-cyano-N,N-diethyl-3-methyl-5-[(2-phenyl-2-phenylsulfanylacetyl)amino]thiophene-2-carboxamide
CID 4675086
4-cyano-N,N-diethyl-3-methyl-5-[[(E)-3-(4-nitrophenyl)prop-2-enoyl]amino]thiophene-2-carboxamide
CID 6064426
5-[(2-chloro-4-nitrobenzoyl)amino]-4-cyano-N,N-diethyl-3-methylthiophene-2-carboxamide
CID 3351801

Frequently Asked Questions

What is the IUPAC name of N,N'-bis[3-cyano-5-(diethylcarbamoyl)-4-methylthiophen-2-yl]butanediamide?
The IUPAC name of N,N'-bis[3-cyano-5-(diethylcarbamoyl)-4-methylthiophen-2-yl]butanediamide (CID 4609681) is N,N'-bis[3-cyano-5-(diethylcarbamoyl)-4-methylthiophen-2-yl]butanediamide.
What is the SMILES notation for N,N'-bis[3-cyano-5-(diethylcarbamoyl)-4-methylthiophen-2-yl]butanediamide?
The canonical SMILES for N,N'-bis[3-cyano-5-(diethylcarbamoyl)-4-methylthiophen-2-yl]butanediamide is CCN(CC)C(=O)c1sc(NC(=O)CCC(=O)Nc2sc(C(=O)N(CC)CC)c(C)c2C#N)c(C#N)c1C.
What is the InChIKey of N,N'-bis[3-cyano-5-(diethylcarbamoyl)-4-methylthiophen-2-yl]butanediamide?
The InChIKey is UGTQZXAWQUCMKV-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H32N6O4S2/c1-7-31(8-2)25(35)21-15(5)17(13-27)23(37-21)29-19(33)11-12-20(34)30-24-18(14-28)16(6)22(38-24)26(36)32(9-3)10-4/h7-12H2,1-6H3,(H,29,33)(H,30,34).
What are the key properties of N,N'-bis[3-cyano-5-(diethylcarbamoyl)-4-methylthiophen-2-yl]butanediamide?
N,N'-bis[3-cyano-5-(diethylcarbamoyl)-4-methylthiophen-2-yl]butanediamide has a molecular weight of 556.71 g/mol, XLogP of 4.49, 11 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for N,N'-bis[3-cyano-5-(diethylcarbamoyl)-4-methylthiophen-2-yl]butanediamide is sourced from PubChem (CID 4609681), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).