N'-[2,5-dimethoxy-4-(thiophene-2-carbonylamino)phenyl]-N-quinolin-5-ylbutanediamide

C26H24N4O5S — CID 1139084

IUPACN'-[2,5-dimethoxy-4-(thiophene-2-carbonylamino)phenyl]-N-quinolin-5-ylbutanediamide
SMILESCOc1cc(NC(=O)c2cccs2)c(OC)cc1NC(=O)CCC(=O)Nc1cccc2ncccc12
InChIInChI=1S/C26H24N4O5S/c1-34-21-15-20(30-26(33)23-9-5-13-36-23)22(35-2)14-19(21)29-25(32)11-10-24(31)28-18-8-3-7-17-16(18)6-4-12-27-17/h3-9,12-15H,10-11H2,1-2H3,(H,28,31)(H,29,32)(H,30,33)
InChIKeyUCBNBEWKEGKHIX-UHFFFAOYSA-N
MW504.57 g/mol
LogP4.92
Rot. Bonds9

About N'-[2,5-dimethoxy-4-(thiophene-2-carbonylamino)phenyl]-N-quinolin-5-ylbutanediamide

N'-[2,5-dimethoxy-4-(thiophene-2-carbonylamino)phenyl]-N-quinolin-5-ylbutanediamide (PubChem CID 1139084) has the molecular formula C26H24N4O5S and a molecular weight of 504.57 g/mol. Its IUPAC name is N'-[2,5-dimethoxy-4-(thiophene-2-carbonylamino)phenyl]-N-quinolin-5-ylbutanediamide.

Molecular Properties

Compound NameN'-[2,5-dimethoxy-4-(thiophene-2-carbonylamino)phenyl]-N-quinolin-5-ylbutanediamide
PubChem CID1139084
Molecular FormulaC26H24N4O5S
Molecular Weight504.57 g/mol
Exact Mass504.15
IUPAC NameN'-[2,5-dimethoxy-4-(thiophene-2-carbonylamino)phenyl]-N-quinolin-5-ylbutanediamide
SMILESCOc1cc(NC(=O)c2cccs2)c(OC)cc1NC(=O)CCC(=O)Nc1cccc2ncccc12
InChIInChI=1S/C26H24N4O5S/c1-34-21-15-20(30-26(33)23-9-5-13-36-23)22(35-2)14-19(21)29-25(32)11-10-24(31)28-18-8-3-7-17-16(18)6-4-12-27-17/h3-9,12-15H,10-11H2,1-2H3,(H,28,31)(H,29,32)(H,30,33)
InChIKeyUCBNBEWKEGKHIX-UHFFFAOYSA-N
XLogP4.92
TPSA118.65 Ų
H-Bond Donors3
H-Bond Acceptors7
Rotatable Bonds9
Heavy Atoms36
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500504.57
LogP ≤ 54.92
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 107

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Related Compounds

2-(5-chlorothiophen-2-yl)-N-(2,5-dimethoxyphenyl)quinoline-4-carboxamide
CID 1023195
N''-[2,5-dimethoxy-4-(2-thenoylamino)phenyl]-N-(6-quinolyl)succinamide
CID 1139085
N-[2,5-diethoxy-4-(thiophene-2-carbonylamino)phenyl]pyridine-3-carboxamide
CID 1172886
N-(2,5-Diethoxyphenyl)-2-(thiophen-2-YL)quinoline-4-carboxamide
CID 15987885
N'-[2,5-dimethoxy-4-(thiophene-2-carbonylamino)phenyl]-N-quinolin-5-ylbutanediamide;hydrochloride
CID 16192670
N'-[2,5-diethoxy-4-(thiophene-2-carbonylamino)phenyl]-N-(pyridin-2-ylmethyl)butanediamide
CID 1135915
N-(2,5-dimethoxyphenyl)-2-[3-(thiophen-2-ylcarbonyl)-1H-indol-1-yl]acetamide
CID 1241963
N-(3-Methoxyphenyl)-2-(thiophen-3-YL)pyridine-4-carboxamide
CID 53119741
N-(2,5-dimethoxyphenyl)-2-(2-thienyl)-4-quinolinecarboxamide
CID 1290231
N-[3-(quinolin-4-ylmethylamino)-4-(trifluoromethoxy)phenyl]thiophene-2-carboxamide
CID 153547550
N'-[2,5-dimethoxy-4-(thiophene-2-carbonylamino)phenyl]-N-quinolin-5-ylbutanediamide chloride
CID 49787123
N-(2-methoxyphenyl)-2-(2-thienyl)-4-quinolinecarboxamide
CID 1221874

Frequently Asked Questions

What is the IUPAC name of N'-[2,5-dimethoxy-4-(thiophene-2-carbonylamino)phenyl]-N-quinolin-5-ylbutanediamide?
The IUPAC name of N'-[2,5-dimethoxy-4-(thiophene-2-carbonylamino)phenyl]-N-quinolin-5-ylbutanediamide (CID 1139084) is N'-[2,5-dimethoxy-4-(thiophene-2-carbonylamino)phenyl]-N-quinolin-5-ylbutanediamide.
What is the SMILES notation for N'-[2,5-dimethoxy-4-(thiophene-2-carbonylamino)phenyl]-N-quinolin-5-ylbutanediamide?
The canonical SMILES for N'-[2,5-dimethoxy-4-(thiophene-2-carbonylamino)phenyl]-N-quinolin-5-ylbutanediamide is COc1cc(NC(=O)c2cccs2)c(OC)cc1NC(=O)CCC(=O)Nc1cccc2ncccc12.
What is the InChIKey of N'-[2,5-dimethoxy-4-(thiophene-2-carbonylamino)phenyl]-N-quinolin-5-ylbutanediamide?
The InChIKey is UCBNBEWKEGKHIX-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H24N4O5S/c1-34-21-15-20(30-26(33)23-9-5-13-36-23)22(35-2)14-19(21)29-25(32)11-10-24(31)28-18-8-3-7-17-16(18)6-4-12-27-17/h3-9,12-15H,10-11H2,1-2H3,(H,28,31)(H,29,32)(H,30,33).
What are the key properties of N'-[2,5-dimethoxy-4-(thiophene-2-carbonylamino)phenyl]-N-quinolin-5-ylbutanediamide?
N'-[2,5-dimethoxy-4-(thiophene-2-carbonylamino)phenyl]-N-quinolin-5-ylbutanediamide has a molecular weight of 504.57 g/mol, XLogP of 4.92, 9 rotatable bonds, 3 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N'-[2,5-dimethoxy-4-(thiophene-2-carbonylamino)phenyl]-N-quinolin-5-ylbutanediamide is sourced from PubChem (CID 1139084), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).