N'-[2,5-diethoxy-4-(thiophene-2-carbonylamino)phenyl]-N-(2-morpholin-4-ylethyl)butanediamide

C25H34N4O6S — CID 3171632

IUPACN'-[2,5-diethoxy-4-(thiophene-2-carbonylamino)phenyl]-N-(2-morpholin-4-ylethyl)butanediamide
SMILESCCOc1cc(NC(=O)c2cccs2)c(OCC)cc1NC(=O)CCC(=O)NCCN1CCOCC1
InChIInChI=1S/C25H34N4O6S/c1-3-34-20-17-19(28-25(32)22-6-5-15-36-22)21(35-4-2)16-18(20)27-24(31)8-7-23(30)26-9-10-29-11-13-33-14-12-29/h5-6,15-17H,3-4,7-14H2,1-2H3,(H,26,30)(H,27,31)(H,28,32)
InChIKeyCGXVEHMVPLHKKY-UHFFFAOYSA-N
MW518.64 g/mol
LogP2.96
Rot. Bonds13

About N'-[2,5-diethoxy-4-(thiophene-2-carbonylamino)phenyl]-N-(2-morpholin-4-ylethyl)butanediamide

N'-[2,5-diethoxy-4-(thiophene-2-carbonylamino)phenyl]-N-(2-morpholin-4-ylethyl)butanediamide (PubChem CID 3171632) has the molecular formula C25H34N4O6S and a molecular weight of 518.64 g/mol. Its IUPAC name is N'-[2,5-diethoxy-4-(thiophene-2-carbonylamino)phenyl]-N-(2-morpholin-4-ylethyl)butanediamide.

Molecular Properties

Compound NameN'-[2,5-diethoxy-4-(thiophene-2-carbonylamino)phenyl]-N-(2-morpholin-4-ylethyl)butanediamide
PubChem CID3171632
Molecular FormulaC25H34N4O6S
Molecular Weight518.64 g/mol
Exact Mass518.22
IUPAC NameN'-[2,5-diethoxy-4-(thiophene-2-carbonylamino)phenyl]-N-(2-morpholin-4-ylethyl)butanediamide
SMILESCCOc1cc(NC(=O)c2cccs2)c(OCC)cc1NC(=O)CCC(=O)NCCN1CCOCC1
InChIInChI=1S/C25H34N4O6S/c1-3-34-20-17-19(28-25(32)22-6-5-15-36-22)21(35-4-2)16-18(20)27-24(31)8-7-23(30)26-9-10-29-11-13-33-14-12-29/h5-6,15-17H,3-4,7-14H2,1-2H3,(H,26,30)(H,27,31)(H,28,32)
InChIKeyCGXVEHMVPLHKKY-UHFFFAOYSA-N
XLogP2.96
TPSA118.23 Ų
H-Bond Donors3
H-Bond Acceptors8
Rotatable Bonds13
Heavy Atoms36
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500518.64
LogP ≤ 52.96
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 108

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Related Compounds

Thiophene-2-carboxylic acid {4-[4-(2-methoxy-phenyl)-piperazin-1-yl]-butyl}-amide
CID 10248783
[4-(2-Ethoxy-phenyl)-piperazin-1-yl]-thiophen-2-yl-methanone
CID 896558
N-(5-methoxy-2-morpholin-4-ylphenyl)thiophene-2-carboxamide
CID 6471687
N-[2-(cyclopentylamino)-2-oxo-1-thiophen-2-ylethyl]-N-(2,5-dimethoxyphenyl)prop-2-ynamide
CID 3216694
Thiophene-3-carboxylic acid {4-[4-(2-methoxy-phenyl)-piperazin-1-yl]-butyl}-amide
CID 9999428
3-Methyl-thiophene-2-carboxylic acid {2-[4-(2-methoxy-phenyl)-piperazin-1-yl]-ethyl}-amide
CID 10021391
5-Methyl-thiophene-2-carboxylic acid {4-[4-(2-methoxy-phenyl)-piperazin-1-yl]-butyl}-amide
CID 10091635
3-Methyl-thiophene-2-carboxylic acid {4-[4-(2-methoxy-phenyl)-piperazin-1-yl]-butyl}-amide
CID 10407915
5-Methyl-thiophene-2-carboxylic acid {2-[4-(2-methoxy-phenyl)-piperazin-1-yl]-ethyl}-amide
CID 10473644
N-{2-[4-(2-methoxyphenyl)piperazin-1-yl]ethyl}thiophene-3-carboxamide
CID 11725128
1-(2-Methoxyphenyl)-4-(thiophene-2-carbonyl)piperazine
CID 694533
N-{2-[(2,5-dimethoxyphenyl)amino]-2-oxoethyl}thiophene-2-carboxamide
CID 934503

Frequently Asked Questions

What is the IUPAC name of N'-[2,5-diethoxy-4-(thiophene-2-carbonylamino)phenyl]-N-(2-morpholin-4-ylethyl)butanediamide?
The IUPAC name of N'-[2,5-diethoxy-4-(thiophene-2-carbonylamino)phenyl]-N-(2-morpholin-4-ylethyl)butanediamide (CID 3171632) is N'-[2,5-diethoxy-4-(thiophene-2-carbonylamino)phenyl]-N-(2-morpholin-4-ylethyl)butanediamide.
What is the SMILES notation for N'-[2,5-diethoxy-4-(thiophene-2-carbonylamino)phenyl]-N-(2-morpholin-4-ylethyl)butanediamide?
The canonical SMILES for N'-[2,5-diethoxy-4-(thiophene-2-carbonylamino)phenyl]-N-(2-morpholin-4-ylethyl)butanediamide is CCOc1cc(NC(=O)c2cccs2)c(OCC)cc1NC(=O)CCC(=O)NCCN1CCOCC1.
What is the InChIKey of N'-[2,5-diethoxy-4-(thiophene-2-carbonylamino)phenyl]-N-(2-morpholin-4-ylethyl)butanediamide?
The InChIKey is CGXVEHMVPLHKKY-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H34N4O6S/c1-3-34-20-17-19(28-25(32)22-6-5-15-36-22)21(35-4-2)16-18(20)27-24(31)8-7-23(30)26-9-10-29-11-13-33-14-12-29/h5-6,15-17H,3-4,7-14H2,1-2H3,(H,26,30)(H,27,31)(H,28,32).
What are the key properties of N'-[2,5-diethoxy-4-(thiophene-2-carbonylamino)phenyl]-N-(2-morpholin-4-ylethyl)butanediamide?
N'-[2,5-diethoxy-4-(thiophene-2-carbonylamino)phenyl]-N-(2-morpholin-4-ylethyl)butanediamide has a molecular weight of 518.64 g/mol, XLogP of 2.96, 13 rotatable bonds, 3 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for N'-[2,5-diethoxy-4-(thiophene-2-carbonylamino)phenyl]-N-(2-morpholin-4-ylethyl)butanediamide is sourced from PubChem (CID 3171632), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).