4-(2,5-dimethylthiophen-3-yl)-N-[4-(methylcarbamoylamino)phenyl]-4-oxobutanamide

C18H21N3O3S — CID 46518580

IUPAC4-(2,5-dimethylthiophen-3-yl)-N-[4-(methylcarbamoylamino)phenyl]-4-oxobutanamide
SMILESCNC(=O)Nc1ccc(NC(=O)CCC(=O)c2cc(C)sc2C)cc1
InChIInChI=1S/C18H21N3O3S/c1-11-10-15(12(2)25-11)16(22)8-9-17(23)20-13-4-6-14(7-5-13)21-18(24)19-3/h4-7,10H,8-9H2,1-3H3,(H,20,23)(H2,19,21,24)
InChIKeyONXZTNIOHWMOIE-UHFFFAOYSA-N
MW359.45 g/mol
LogP3.72
Rot. Bonds6

About 4-(2,5-dimethylthiophen-3-yl)-N-[4-(methylcarbamoylamino)phenyl]-4-oxobutanamide

4-(2,5-dimethylthiophen-3-yl)-N-[4-(methylcarbamoylamino)phenyl]-4-oxobutanamide (PubChem CID 46518580) has the molecular formula C18H21N3O3S and a molecular weight of 359.45 g/mol. Its IUPAC name is 4-(2,5-dimethylthiophen-3-yl)-N-[4-(methylcarbamoylamino)phenyl]-4-oxobutanamide.

Molecular Properties

Compound Name4-(2,5-dimethylthiophen-3-yl)-N-[4-(methylcarbamoylamino)phenyl]-4-oxobutanamide
PubChem CID46518580
Molecular FormulaC18H21N3O3S
Molecular Weight359.45 g/mol
Exact Mass359.13
IUPAC Name4-(2,5-dimethylthiophen-3-yl)-N-[4-(methylcarbamoylamino)phenyl]-4-oxobutanamide
SMILESCNC(=O)Nc1ccc(NC(=O)CCC(=O)c2cc(C)sc2C)cc1
InChIInChI=1S/C18H21N3O3S/c1-11-10-15(12(2)25-11)16(22)8-9-17(23)20-13-4-6-14(7-5-13)21-18(24)19-3/h4-7,10H,8-9H2,1-3H3,(H,20,23)(H2,19,21,24)
InChIKeyONXZTNIOHWMOIE-UHFFFAOYSA-N
XLogP3.72
TPSA87.30 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500359.45
LogP ≤ 53.72
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

4-(2,5-dimethylthiophen-3-yl)-N-(4-fluorophenyl)-4-oxobutanamide
CID 9416232
4-(2,5-dimethylthiophen-3-yl)-4-oxo-N-(4-phenylphenyl)butanamide
CID 7969004
N-[4-[[4-(2,5-dimethylthiophen-3-yl)-4-oxobutanoyl]amino]phenyl]-3-methylbutanamide
CID 33031537
4-(2,5-dimethylthiophen-3-yl)-4-oxo-N-pyridin-4-ylbutanamide
CID 27700487
N-(3,5-dimethoxyphenyl)-4-(2,5-dimethylthiophen-3-yl)-4-oxobutanamide
CID 17426438
4-(2,5-dimethylthiophen-3-yl)-N-(4-methyl-3-nitrophenyl)-4-oxobutanamide
CID 26575505
N-(3-chloro-4-methoxyphenyl)-4-(2,5-dimethylthiophen-3-yl)-4-oxobutanamide
CID 2469868
4-(2,5-dimethylthiophen-3-yl)-N-(2-hydroxyphenyl)-4-oxobutanamide
CID 24535621
methyl 3-[[4-(2,5-dimethylthiophen-3-yl)-4-oxobutanoyl]amino]benzoate
CID 26886717
4-(2,5-dimethylthiophen-3-yl)-N-[4-(1,1-dioxo-1,2-thiazolidin-2-yl)phenyl]-4-oxobutanamide
CID 42488044
4-(2,5-dimethylthiophen-3-yl)-N-(4-ethoxy-3-methoxyphenyl)-4-oxobutanamide
CID 9102600
1-[[4-(2,5-dimethylthiophen-3-yl)-4-oxobutanoyl]amino]-3-(4-fluorophenyl)thiourea
CID 9469366

Frequently Asked Questions

What is the IUPAC name of 4-(2,5-dimethylthiophen-3-yl)-N-[4-(methylcarbamoylamino)phenyl]-4-oxobutanamide?
The IUPAC name of 4-(2,5-dimethylthiophen-3-yl)-N-[4-(methylcarbamoylamino)phenyl]-4-oxobutanamide (CID 46518580) is 4-(2,5-dimethylthiophen-3-yl)-N-[4-(methylcarbamoylamino)phenyl]-4-oxobutanamide.
What is the SMILES notation for 4-(2,5-dimethylthiophen-3-yl)-N-[4-(methylcarbamoylamino)phenyl]-4-oxobutanamide?
The canonical SMILES for 4-(2,5-dimethylthiophen-3-yl)-N-[4-(methylcarbamoylamino)phenyl]-4-oxobutanamide is CNC(=O)Nc1ccc(NC(=O)CCC(=O)c2cc(C)sc2C)cc1.
What is the InChIKey of 4-(2,5-dimethylthiophen-3-yl)-N-[4-(methylcarbamoylamino)phenyl]-4-oxobutanamide?
The InChIKey is ONXZTNIOHWMOIE-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H21N3O3S/c1-11-10-15(12(2)25-11)16(22)8-9-17(23)20-13-4-6-14(7-5-13)21-18(24)19-3/h4-7,10H,8-9H2,1-3H3,(H,20,23)(H2,19,21,24).
What are the key properties of 4-(2,5-dimethylthiophen-3-yl)-N-[4-(methylcarbamoylamino)phenyl]-4-oxobutanamide?
4-(2,5-dimethylthiophen-3-yl)-N-[4-(methylcarbamoylamino)phenyl]-4-oxobutanamide has a molecular weight of 359.45 g/mol, XLogP of 3.72, 6 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2,5-dimethylthiophen-3-yl)-N-[4-(methylcarbamoylamino)phenyl]-4-oxobutanamide is sourced from PubChem (CID 46518580), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).