N-[2-[4-chloro-3-(methylcarbamoyl)anilino]-2-oxoethyl]-N-methylthiophene-2-carboxamide

C16H16ClN3O3S — CID 47068278

IUPACN-[2-[4-chloro-3-(methylcarbamoyl)anilino]-2-oxoethyl]-N-methylthiophene-2-carboxamide
SMILESCNC(=O)c1cc(NC(=O)CN(C)C(=O)c2cccs2)ccc1Cl
InChIInChI=1S/C16H16ClN3O3S/c1-18-15(22)11-8-10(5-6-12(11)17)19-14(21)9-20(2)16(23)13-4-3-7-24-13/h3-8H,9H2,1-2H3,(H,18,22)(H,19,21)
InChIKeyLNZZGJYYXVWFRB-UHFFFAOYSA-N
MW365.84 g/mol
LogP2.47
Rot. Bonds5

About N-[2-[4-chloro-3-(methylcarbamoyl)anilino]-2-oxoethyl]-N-methylthiophene-2-carboxamide

N-[2-[4-chloro-3-(methylcarbamoyl)anilino]-2-oxoethyl]-N-methylthiophene-2-carboxamide (PubChem CID 47068278) has the molecular formula C16H16ClN3O3S and a molecular weight of 365.84 g/mol. Its IUPAC name is N-[2-[4-chloro-3-(methylcarbamoyl)anilino]-2-oxoethyl]-N-methylthiophene-2-carboxamide.

Molecular Properties

Compound NameN-[2-[4-chloro-3-(methylcarbamoyl)anilino]-2-oxoethyl]-N-methylthiophene-2-carboxamide
PubChem CID47068278
Molecular FormulaC16H16ClN3O3S
Molecular Weight365.84 g/mol
Exact Mass365.06
IUPAC NameN-[2-[4-chloro-3-(methylcarbamoyl)anilino]-2-oxoethyl]-N-methylthiophene-2-carboxamide
SMILESCNC(=O)c1cc(NC(=O)CN(C)C(=O)c2cccs2)ccc1Cl
InChIInChI=1S/C16H16ClN3O3S/c1-18-15(22)11-8-10(5-6-12(11)17)19-14(21)9-20(2)16(23)13-4-3-7-24-13/h3-8H,9H2,1-2H3,(H,18,22)(H,19,21)
InChIKeyLNZZGJYYXVWFRB-UHFFFAOYSA-N
XLogP2.47
TPSA78.51 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500365.84
LogP ≤ 52.47
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-[2-[4-(hydroxymethyl)anilino]-2-oxoethyl]-N-methylthiophene-2-carboxamide
CID 64793762
N-[2-(3-fluoroanilino)-2-oxoethyl]-N-methylthiophene-2-carboxamide
CID 9439622
N-[2-[[2-(3-chloroanilino)-2-oxoethyl]-methylcarbamoyl]phenyl]thiophene-2-carboxamide
CID 33289468
2-chloro-N-methyl-5-(3-oxobutanoylamino)benzamide
CID 54867174
N-[3-[(2-anilino-2-oxoethyl)-methylcarbamoyl]phenyl]thiophene-2-carboxamide
CID 55637692
N-[2-[4-chloro-3-(trifluoromethyl)anilino]-2-oxoethyl]-N-methyl-4-oxo-4-thiophen-2-ylbutanamide
CID 17480216
N-[2-chloro-5-[[2-(2,6-dichloroanilino)-2-oxoethyl]-methylcarbamoyl]phenyl]thiophene-2-carboxamide
CID 27807443
N-[2-(3,4-dichloroanilino)-2-oxoethyl]-N,3-dimethylthiophene-2-carboxamide
CID 31182814
N-methyl-N-[2-[4-[(4-methylpiperidin-1-yl)methyl]anilino]-2-oxoethyl]thiophene-2-carboxamide
CID 55846194
2-chloro-5-[(2-methoxyacetyl)amino]-N-(thiophen-2-ylmethyl)benzamide
CID 71859307
N-[2-(3,4-dichloroanilino)-2-oxoethyl]-N-methylbenzamide
CID 7718956
5-acetyl-N-[2-(3,4-dichloroanilino)-2-oxoethyl]-N-methylthiophene-2-carboxamide
CID 9091886

Frequently Asked Questions

What is the IUPAC name of N-[2-[4-chloro-3-(methylcarbamoyl)anilino]-2-oxoethyl]-N-methylthiophene-2-carboxamide?
The IUPAC name of N-[2-[4-chloro-3-(methylcarbamoyl)anilino]-2-oxoethyl]-N-methylthiophene-2-carboxamide (CID 47068278) is N-[2-[4-chloro-3-(methylcarbamoyl)anilino]-2-oxoethyl]-N-methylthiophene-2-carboxamide.
What is the SMILES notation for N-[2-[4-chloro-3-(methylcarbamoyl)anilino]-2-oxoethyl]-N-methylthiophene-2-carboxamide?
The canonical SMILES for N-[2-[4-chloro-3-(methylcarbamoyl)anilino]-2-oxoethyl]-N-methylthiophene-2-carboxamide is CNC(=O)c1cc(NC(=O)CN(C)C(=O)c2cccs2)ccc1Cl.
What is the InChIKey of N-[2-[4-chloro-3-(methylcarbamoyl)anilino]-2-oxoethyl]-N-methylthiophene-2-carboxamide?
The InChIKey is LNZZGJYYXVWFRB-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H16ClN3O3S/c1-18-15(22)11-8-10(5-6-12(11)17)19-14(21)9-20(2)16(23)13-4-3-7-24-13/h3-8H,9H2,1-2H3,(H,18,22)(H,19,21).
What are the key properties of N-[2-[4-chloro-3-(methylcarbamoyl)anilino]-2-oxoethyl]-N-methylthiophene-2-carboxamide?
N-[2-[4-chloro-3-(methylcarbamoyl)anilino]-2-oxoethyl]-N-methylthiophene-2-carboxamide has a molecular weight of 365.84 g/mol, XLogP of 2.47, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[4-chloro-3-(methylcarbamoyl)anilino]-2-oxoethyl]-N-methylthiophene-2-carboxamide is sourced from PubChem (CID 47068278), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).