N-[2-[[4-(methylcarbamoyl)phenyl]methylamino]-2-oxoethyl]thiophene-3-carboxamide

C16H17N3O3S — CID 51092014

IUPACN-[2-[[4-(methylcarbamoyl)phenyl]methylamino]-2-oxoethyl]thiophene-3-carboxamide
SMILESCNC(=O)c1ccc(CNC(=O)CNC(=O)c2ccsc2)cc1
InChIInChI=1S/C16H17N3O3S/c1-17-15(21)12-4-2-11(3-5-12)8-18-14(20)9-19-16(22)13-6-7-23-10-13/h2-7,10H,8-9H2,1H3,(H,17,21)(H,18,20)(H,19,22)
InChIKeyWJDZJKKNAFHOOQ-UHFFFAOYSA-N
MW331.40 g/mol
LogP1.15
Rot. Bonds6

About N-[2-[[4-(methylcarbamoyl)phenyl]methylamino]-2-oxoethyl]thiophene-3-carboxamide

N-[2-[[4-(methylcarbamoyl)phenyl]methylamino]-2-oxoethyl]thiophene-3-carboxamide (PubChem CID 51092014) has the molecular formula C16H17N3O3S and a molecular weight of 331.40 g/mol. Its IUPAC name is N-[2-[[4-(methylcarbamoyl)phenyl]methylamino]-2-oxoethyl]thiophene-3-carboxamide.

Molecular Properties

Compound NameN-[2-[[4-(methylcarbamoyl)phenyl]methylamino]-2-oxoethyl]thiophene-3-carboxamide
PubChem CID51092014
Molecular FormulaC16H17N3O3S
Molecular Weight331.40 g/mol
Exact Mass331.10
IUPAC NameN-[2-[[4-(methylcarbamoyl)phenyl]methylamino]-2-oxoethyl]thiophene-3-carboxamide
SMILESCNC(=O)c1ccc(CNC(=O)CNC(=O)c2ccsc2)cc1
InChIInChI=1S/C16H17N3O3S/c1-17-15(21)12-4-2-11(3-5-12)8-18-14(20)9-19-16(22)13-6-7-23-10-13/h2-7,10H,8-9H2,1H3,(H,17,21)(H,18,20)(H,19,22)
InChIKeyWJDZJKKNAFHOOQ-UHFFFAOYSA-N
XLogP1.15
TPSA87.30 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500331.40
LogP ≤ 51.15
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

N-[(4-hydroxyphenyl)methyl]thiophene-3-carboxamide
CID 47148514
N-[[4-(chloromethyl)phenyl]methyl]thiophene-3-carboxamide
CID 107233527
N-[[4-[[(2R)-butan-2-yl]carbamoyl]phenyl]methyl]thiophene-3-carboxamide
CID 94197249
ethane;N-methyl-4-[(propanoylamino)methyl]benzamide
CID 145404666
N-[[4-(ethoxymethyl)phenyl]methyl]thiophene-3-carboxamide
CID 37358196
4-fluoro-N-[2-[(4-methylphenyl)methylamino]-2-oxoethyl]benzamide
CID 26850940
N-[4-[(4-fluorophenyl)methylamino]-4-oxobutyl]thiophene-3-carboxamide
CID 27256783
4-[(carbamoylamino)methyl]-N-methylbenzamide
CID 39969427
N-[2-(thiophene-3-carbonylamino)ethyl]thiophene-3-carboxamide
CID 101004058
N-[2-[[4-[[2-(2,3-dihydroindol-1-yl)acetyl]amino]phenyl]methylamino]-2-oxoethyl]thiophene-3-carboxamide
CID 154835775
2-[2-[[4-(methylcarbamoyl)phenyl]methylamino]-2-oxoethyl]sulfanylacetic acid
CID 104569186
N-[2-[(3-hydroxy-2,2,4-trimethylpentyl)amino]-2-oxoethyl]thiophene-3-carboxamide
CID 109389253

Frequently Asked Questions

What is the IUPAC name of N-[2-[[4-(methylcarbamoyl)phenyl]methylamino]-2-oxoethyl]thiophene-3-carboxamide?
The IUPAC name of N-[2-[[4-(methylcarbamoyl)phenyl]methylamino]-2-oxoethyl]thiophene-3-carboxamide (CID 51092014) is N-[2-[[4-(methylcarbamoyl)phenyl]methylamino]-2-oxoethyl]thiophene-3-carboxamide.
What is the SMILES notation for N-[2-[[4-(methylcarbamoyl)phenyl]methylamino]-2-oxoethyl]thiophene-3-carboxamide?
The canonical SMILES for N-[2-[[4-(methylcarbamoyl)phenyl]methylamino]-2-oxoethyl]thiophene-3-carboxamide is CNC(=O)c1ccc(CNC(=O)CNC(=O)c2ccsc2)cc1.
What is the InChIKey of N-[2-[[4-(methylcarbamoyl)phenyl]methylamino]-2-oxoethyl]thiophene-3-carboxamide?
The InChIKey is WJDZJKKNAFHOOQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H17N3O3S/c1-17-15(21)12-4-2-11(3-5-12)8-18-14(20)9-19-16(22)13-6-7-23-10-13/h2-7,10H,8-9H2,1H3,(H,17,21)(H,18,20)(H,19,22).
What are the key properties of N-[2-[[4-(methylcarbamoyl)phenyl]methylamino]-2-oxoethyl]thiophene-3-carboxamide?
N-[2-[[4-(methylcarbamoyl)phenyl]methylamino]-2-oxoethyl]thiophene-3-carboxamide has a molecular weight of 331.40 g/mol, XLogP of 1.15, 6 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[[4-(methylcarbamoyl)phenyl]methylamino]-2-oxoethyl]thiophene-3-carboxamide is sourced from PubChem (CID 51092014), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).