N-[4-[[2-(2-methylanilino)-2-oxoethyl]-propylcarbamoyl]phenyl]thiophene-2-carboxamide

C24H25N3O3S — CID 38687361

IUPACN-[4-[[2-(2-methylanilino)-2-oxoethyl]-propylcarbamoyl]phenyl]thiophene-2-carboxamide
SMILESCCCN(CC(=O)Nc1ccccc1C)C(=O)c1ccc(NC(=O)c2cccs2)cc1
InChIInChI=1S/C24H25N3O3S/c1-3-14-27(16-22(28)26-20-8-5-4-7-17(20)2)24(30)18-10-12-19(13-11-18)25-23(29)21-9-6-15-31-21/h4-13,15H,3,14,16H2,1-2H3,(H,25,29)(H,26,28)
InChIKeyMETPOCPLOBUERP-UHFFFAOYSA-N
MW435.55 g/mol
LogP4.80
Rot. Bonds8

About N-[4-[[2-(2-methylanilino)-2-oxoethyl]-propylcarbamoyl]phenyl]thiophene-2-carboxamide

N-[4-[[2-(2-methylanilino)-2-oxoethyl]-propylcarbamoyl]phenyl]thiophene-2-carboxamide (PubChem CID 38687361) has the molecular formula C24H25N3O3S and a molecular weight of 435.55 g/mol. Its IUPAC name is N-[4-[[2-(2-methylanilino)-2-oxoethyl]-propylcarbamoyl]phenyl]thiophene-2-carboxamide.

Molecular Properties

Compound NameN-[4-[[2-(2-methylanilino)-2-oxoethyl]-propylcarbamoyl]phenyl]thiophene-2-carboxamide
PubChem CID38687361
Molecular FormulaC24H25N3O3S
Molecular Weight435.55 g/mol
Exact Mass435.16
IUPAC NameN-[4-[[2-(2-methylanilino)-2-oxoethyl]-propylcarbamoyl]phenyl]thiophene-2-carboxamide
SMILESCCCN(CC(=O)Nc1ccccc1C)C(=O)c1ccc(NC(=O)c2cccs2)cc1
InChIInChI=1S/C24H25N3O3S/c1-3-14-27(16-22(28)26-20-8-5-4-7-17(20)2)24(30)18-10-12-19(13-11-18)25-23(29)21-9-6-15-31-21/h4-13,15H,3,14,16H2,1-2H3,(H,25,29)(H,26,28)
InChIKeyMETPOCPLOBUERP-UHFFFAOYSA-N
XLogP4.80
TPSA78.51 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500435.55
LogP ≤ 54.80
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-[4-[[2-(2-bromoanilino)-2-oxoethyl]-methylcarbamoyl]phenyl]thiophene-2-carboxamide
CID 30496839
3,5-dichloro-N-[2-(2-methylanilino)-2-oxoethyl]-N-propylbenzamide
CID 38684187
N-[2-(2-methylanilino)-2-oxoethyl]-N-propyl-1,3-benzodioxole-5-carboxamide
CID 25163517
N-[2-(2-methylanilino)-2-oxoethyl]-N-propyl-2,3-dihydro-1H-indene-5-carboxamide
CID 38685975
N-[4-[ethyl(phenyl)carbamoyl]phenyl]thiophene-2-carboxamide
CID 2981018
N-[2-chloro-5-[[4-(diethylcarbamoyl)phenyl]carbamoyl]phenyl]thiophene-2-carboxamide
CID 34542770
N-[4-[[5-(2-chlorophenyl)-1,3,4-oxadiazol-2-yl]methyl-propylcarbamoyl]phenyl]thiophene-2-carboxamide
CID 55373022
N-[2-methyl-5-[[2-(2-methylanilino)-2-oxoethyl]-propylcarbamoyl]phenyl]furan-2-carboxamide
CID 38685034
4-(azepan-1-ylsulfonyl)-N-[2-(2-methylanilino)-2-oxoethyl]-N-propylbenzamide
CID 24817036
N-[3-[[2-(2-methylanilino)-2-oxoethyl]-propylamino]-3-oxopropyl]benzamide
CID 38676277
4-bromo-N-[2-[[2-(2-methylanilino)-2-oxoethyl]-propylamino]-2-oxoethyl]benzamide
CID 112771725
N-[4-[[5-(furan-2-yl)-1,3,4-oxadiazol-2-yl]methyl-propylcarbamoyl]phenyl]thiophene-2-carboxamide
CID 32569182

Frequently Asked Questions

What is the IUPAC name of N-[4-[[2-(2-methylanilino)-2-oxoethyl]-propylcarbamoyl]phenyl]thiophene-2-carboxamide?
The IUPAC name of N-[4-[[2-(2-methylanilino)-2-oxoethyl]-propylcarbamoyl]phenyl]thiophene-2-carboxamide (CID 38687361) is N-[4-[[2-(2-methylanilino)-2-oxoethyl]-propylcarbamoyl]phenyl]thiophene-2-carboxamide.
What is the SMILES notation for N-[4-[[2-(2-methylanilino)-2-oxoethyl]-propylcarbamoyl]phenyl]thiophene-2-carboxamide?
The canonical SMILES for N-[4-[[2-(2-methylanilino)-2-oxoethyl]-propylcarbamoyl]phenyl]thiophene-2-carboxamide is CCCN(CC(=O)Nc1ccccc1C)C(=O)c1ccc(NC(=O)c2cccs2)cc1.
What is the InChIKey of N-[4-[[2-(2-methylanilino)-2-oxoethyl]-propylcarbamoyl]phenyl]thiophene-2-carboxamide?
The InChIKey is METPOCPLOBUERP-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H25N3O3S/c1-3-14-27(16-22(28)26-20-8-5-4-7-17(20)2)24(30)18-10-12-19(13-11-18)25-23(29)21-9-6-15-31-21/h4-13,15H,3,14,16H2,1-2H3,(H,25,29)(H,26,28).
What are the key properties of N-[4-[[2-(2-methylanilino)-2-oxoethyl]-propylcarbamoyl]phenyl]thiophene-2-carboxamide?
N-[4-[[2-(2-methylanilino)-2-oxoethyl]-propylcarbamoyl]phenyl]thiophene-2-carboxamide has a molecular weight of 435.55 g/mol, XLogP of 4.80, 8 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-[[2-(2-methylanilino)-2-oxoethyl]-propylcarbamoyl]phenyl]thiophene-2-carboxamide is sourced from PubChem (CID 38687361), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).