N-[2-[[acetyl(ethyl)amino]methyl]phenyl]-4-(5-chlorothiophen-2-yl)-4-oxobutanamide

C19H21ClN2O3S — CID 55661305

IUPACN-[2-[[acetyl(ethyl)amino]methyl]phenyl]-4-(5-chlorothiophen-2-yl)-4-oxobutanamide
SMILESCCN(Cc1ccccc1NC(=O)CCC(=O)c1ccc(Cl)s1)C(C)=O
InChIInChI=1S/C19H21ClN2O3S/c1-3-22(13(2)23)12-14-6-4-5-7-15(14)21-19(25)11-8-16(24)17-9-10-18(20)26-17/h4-7,9-10H,3,8,11-12H2,1-2H3,(H,21,25)
InChIKeyORRHSWCYBHPCHI-UHFFFAOYSA-N
MW392.91 g/mol
LogP4.37
Rot. Bonds8

About N-[2-[[acetyl(ethyl)amino]methyl]phenyl]-4-(5-chlorothiophen-2-yl)-4-oxobutanamide

N-[2-[[acetyl(ethyl)amino]methyl]phenyl]-4-(5-chlorothiophen-2-yl)-4-oxobutanamide (PubChem CID 55661305) has the molecular formula C19H21ClN2O3S and a molecular weight of 392.91 g/mol. Its IUPAC name is N-[2-[[acetyl(ethyl)amino]methyl]phenyl]-4-(5-chlorothiophen-2-yl)-4-oxobutanamide.

Molecular Properties

Compound NameN-[2-[[acetyl(ethyl)amino]methyl]phenyl]-4-(5-chlorothiophen-2-yl)-4-oxobutanamide
PubChem CID55661305
Molecular FormulaC19H21ClN2O3S
Molecular Weight392.91 g/mol
Exact Mass392.10
IUPAC NameN-[2-[[acetyl(ethyl)amino]methyl]phenyl]-4-(5-chlorothiophen-2-yl)-4-oxobutanamide
SMILESCCN(Cc1ccccc1NC(=O)CCC(=O)c1ccc(Cl)s1)C(C)=O
InChIInChI=1S/C19H21ClN2O3S/c1-3-22(13(2)23)12-14-6-4-5-7-15(14)21-19(25)11-8-16(24)17-9-10-18(20)26-17/h4-7,9-10H,3,8,11-12H2,1-2H3,(H,21,25)
InChIKeyORRHSWCYBHPCHI-UHFFFAOYSA-N
XLogP4.37
TPSA66.48 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500392.91
LogP ≤ 54.37
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

4-(5-chlorothiophen-2-yl)-N-[2-(2-ethylanilino)-2-oxoethyl]-N-methyl-4-oxobutanamide
CID 51163475
N-[2-[[acetyl(ethyl)amino]methyl]phenyl]-4-aminobutanamide
CID 119294565
4-(5-chlorothiophen-2-yl)-N-(2,3-dimethylphenyl)-4-oxobutanamide
CID 26538534
N-[2-[[acetyl(ethyl)amino]methyl]phenyl]-2-(5-methylthiophen-2-yl)acetamide
CID 86839848
N-[2-[[acetyl(ethyl)amino]methyl]phenyl]-2-(4-chlorophenyl)sulfanylacetamide
CID 34714029
5-chloro-N-(2-ethylphenyl)thiophene-2-carboxamide
CID 7750910
N-[2-[[acetyl(ethyl)amino]methyl]phenyl]-3-phenylbutanamide
CID 86981703
N-(2-chlorophenyl)-4-(5-methylthiophen-2-yl)-4-oxobutanamide
CID 39754436
2-[[2-[[acetyl(ethyl)amino]methyl]phenyl]carbamoylamino]-N-(2-methylpropyl)acetamide
CID 49278693
[2-(2-acetylanilino)-2-oxoethyl] 4-(5-chlorothiophen-2-yl)-4-oxobutanoate
CID 7583449
[2-(2-methylanilino)-2-oxoethyl] 4-(5-chlorothiophen-2-yl)-4-oxobutanoate
CID 7238274
1-(5-chlorothiophen-2-yl)pentane-1,4-dione
CID 82127105

Frequently Asked Questions

What is the IUPAC name of N-[2-[[acetyl(ethyl)amino]methyl]phenyl]-4-(5-chlorothiophen-2-yl)-4-oxobutanamide?
The IUPAC name of N-[2-[[acetyl(ethyl)amino]methyl]phenyl]-4-(5-chlorothiophen-2-yl)-4-oxobutanamide (CID 55661305) is N-[2-[[acetyl(ethyl)amino]methyl]phenyl]-4-(5-chlorothiophen-2-yl)-4-oxobutanamide.
What is the SMILES notation for N-[2-[[acetyl(ethyl)amino]methyl]phenyl]-4-(5-chlorothiophen-2-yl)-4-oxobutanamide?
The canonical SMILES for N-[2-[[acetyl(ethyl)amino]methyl]phenyl]-4-(5-chlorothiophen-2-yl)-4-oxobutanamide is CCN(Cc1ccccc1NC(=O)CCC(=O)c1ccc(Cl)s1)C(C)=O.
What is the InChIKey of N-[2-[[acetyl(ethyl)amino]methyl]phenyl]-4-(5-chlorothiophen-2-yl)-4-oxobutanamide?
The InChIKey is ORRHSWCYBHPCHI-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H21ClN2O3S/c1-3-22(13(2)23)12-14-6-4-5-7-15(14)21-19(25)11-8-16(24)17-9-10-18(20)26-17/h4-7,9-10H,3,8,11-12H2,1-2H3,(H,21,25).
What are the key properties of N-[2-[[acetyl(ethyl)amino]methyl]phenyl]-4-(5-chlorothiophen-2-yl)-4-oxobutanamide?
N-[2-[[acetyl(ethyl)amino]methyl]phenyl]-4-(5-chlorothiophen-2-yl)-4-oxobutanamide has a molecular weight of 392.91 g/mol, XLogP of 4.37, 8 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[[acetyl(ethyl)amino]methyl]phenyl]-4-(5-chlorothiophen-2-yl)-4-oxobutanamide is sourced from PubChem (CID 55661305), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).