N-[4-[2-methyl-5-(1,3,4-oxadiazol-2-yl)anilino]-4-oxobutyl]thiophene-2-carboxamide

C18H18N4O3S — CID 55731494

IUPACN-[4-[2-methyl-5-(1,3,4-oxadiazol-2-yl)anilino]-4-oxobutyl]thiophene-2-carboxamide
SMILESCc1ccc(-c2nnco2)cc1NC(=O)CCCNC(=O)c1cccs1
InChIInChI=1S/C18H18N4O3S/c1-12-6-7-13(18-22-20-11-25-18)10-14(12)21-16(23)5-2-8-19-17(24)15-4-3-9-26-15/h3-4,6-7,9-11H,2,5,8H2,1H3,(H,19,24)(H,21,23)
InChIKeyIZHRTPVCCAHWLR-UHFFFAOYSA-N
MW370.43 g/mol
LogP3.26
Rot. Bonds7

About N-[4-[2-methyl-5-(1,3,4-oxadiazol-2-yl)anilino]-4-oxobutyl]thiophene-2-carboxamide

N-[4-[2-methyl-5-(1,3,4-oxadiazol-2-yl)anilino]-4-oxobutyl]thiophene-2-carboxamide (PubChem CID 55731494) has the molecular formula C18H18N4O3S and a molecular weight of 370.43 g/mol. Its IUPAC name is N-[4-[2-methyl-5-(1,3,4-oxadiazol-2-yl)anilino]-4-oxobutyl]thiophene-2-carboxamide.

Molecular Properties

Compound NameN-[4-[2-methyl-5-(1,3,4-oxadiazol-2-yl)anilino]-4-oxobutyl]thiophene-2-carboxamide
PubChem CID55731494
Molecular FormulaC18H18N4O3S
Molecular Weight370.43 g/mol
Exact Mass370.11
IUPAC NameN-[4-[2-methyl-5-(1,3,4-oxadiazol-2-yl)anilino]-4-oxobutyl]thiophene-2-carboxamide
SMILESCc1ccc(-c2nnco2)cc1NC(=O)CCCNC(=O)c1cccs1
InChIInChI=1S/C18H18N4O3S/c1-12-6-7-13(18-22-20-11-25-18)10-14(12)21-16(23)5-2-8-19-17(24)15-4-3-9-26-15/h3-4,6-7,9-11H,2,5,8H2,1H3,(H,19,24)(H,21,23)
InChIKeyIZHRTPVCCAHWLR-UHFFFAOYSA-N
XLogP3.26
TPSA97.12 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500370.43
LogP ≤ 53.26
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

4-(methylamino)-N-[2-methyl-5-(1,3,4-oxadiazol-2-yl)phenyl]butanamide
CID 60842599
3-[2-methyl-5-(1,3,4-oxadiazol-2-yl)anilino]-3-oxopropanoic acid
CID 62230630
2-(methylamino)-N-[2-methyl-5-(1,3,4-oxadiazol-2-yl)phenyl]acetamide
CID 43706139
N-[4-(4-chloro-2-methoxy-5-methylanilino)-4-oxobutyl]thiophene-2-carboxamide
CID 30951780
N-[2-methyl-5-(1,3,4-oxadiazol-2-yl)phenyl]-2-pyridin-4-ylsulfanylacetamide
CID 51090247
N-[4-[(4-methyl-2-pyridinyl)amino]-4-oxobutyl]thiophene-2-carboxamide
CID 51274545
N-[4-(4-chloro-2,5-dimethoxyanilino)-4-oxobutyl]thiophene-2-carboxamide
CID 29168982
5-chloro-N-[2-methyl-5-(1,3,4-oxadiazol-2-yl)phenyl]-1,3,4-thiadiazole-2-carboxamide
CID 80618296
methyl 2-[4-(thiophene-2-carbonylamino)butanoylamino]benzoate
CID 39753213
2,2,2-trifluoro-N-[2-methyl-5-(1,3,4-oxadiazol-2-yl)phenyl]acetamide
CID 63374700
N-[4-[(2-methyl-1,3-benzoxazol-5-yl)amino]-4-oxobutyl]thiophene-2-carboxamide
CID 35626706
3-chloro-2,2-dimethyl-N-[2-methyl-5-(1,3,4-oxadiazol-2-yl)phenyl]propanamide
CID 63679608

Frequently Asked Questions

What is the IUPAC name of N-[4-[2-methyl-5-(1,3,4-oxadiazol-2-yl)anilino]-4-oxobutyl]thiophene-2-carboxamide?
The IUPAC name of N-[4-[2-methyl-5-(1,3,4-oxadiazol-2-yl)anilino]-4-oxobutyl]thiophene-2-carboxamide (CID 55731494) is N-[4-[2-methyl-5-(1,3,4-oxadiazol-2-yl)anilino]-4-oxobutyl]thiophene-2-carboxamide.
What is the SMILES notation for N-[4-[2-methyl-5-(1,3,4-oxadiazol-2-yl)anilino]-4-oxobutyl]thiophene-2-carboxamide?
The canonical SMILES for N-[4-[2-methyl-5-(1,3,4-oxadiazol-2-yl)anilino]-4-oxobutyl]thiophene-2-carboxamide is Cc1ccc(-c2nnco2)cc1NC(=O)CCCNC(=O)c1cccs1.
What is the InChIKey of N-[4-[2-methyl-5-(1,3,4-oxadiazol-2-yl)anilino]-4-oxobutyl]thiophene-2-carboxamide?
The InChIKey is IZHRTPVCCAHWLR-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H18N4O3S/c1-12-6-7-13(18-22-20-11-25-18)10-14(12)21-16(23)5-2-8-19-17(24)15-4-3-9-26-15/h3-4,6-7,9-11H,2,5,8H2,1H3,(H,19,24)(H,21,23).
What are the key properties of N-[4-[2-methyl-5-(1,3,4-oxadiazol-2-yl)anilino]-4-oxobutyl]thiophene-2-carboxamide?
N-[4-[2-methyl-5-(1,3,4-oxadiazol-2-yl)anilino]-4-oxobutyl]thiophene-2-carboxamide has a molecular weight of 370.43 g/mol, XLogP of 3.26, 7 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-[2-methyl-5-(1,3,4-oxadiazol-2-yl)anilino]-4-oxobutyl]thiophene-2-carboxamide is sourced from PubChem (CID 55731494), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).