N-[4-[3-(cyclopropylmethoxymethyl)anilino]-4-oxobutyl]thiophene-3-carboxamide

C20H24N2O3S — CID 48584653

IUPACN-[4-[3-(cyclopropylmethoxymethyl)anilino]-4-oxobutyl]thiophene-3-carboxamide
SMILESO=C(CCCNC(=O)c1ccsc1)Nc1cccc(COCC2CC2)c1
InChIInChI=1S/C20H24N2O3S/c23-19(5-2-9-21-20(24)17-8-10-26-14-17)22-18-4-1-3-16(11-18)13-25-12-15-6-7-15/h1,3-4,8,10-11,14-15H,2,5-7,9,12-13H2,(H,21,24)(H,22,23)
InChIKeyFYXSQWSIRLZXTH-UHFFFAOYSA-N
MW372.49 g/mol
LogP3.82
Rot. Bonds10

About N-[4-[3-(cyclopropylmethoxymethyl)anilino]-4-oxobutyl]thiophene-3-carboxamide

N-[4-[3-(cyclopropylmethoxymethyl)anilino]-4-oxobutyl]thiophene-3-carboxamide (PubChem CID 48584653) has the molecular formula C20H24N2O3S and a molecular weight of 372.49 g/mol. Its IUPAC name is N-[4-[3-(cyclopropylmethoxymethyl)anilino]-4-oxobutyl]thiophene-3-carboxamide.

Molecular Properties

Compound NameN-[4-[3-(cyclopropylmethoxymethyl)anilino]-4-oxobutyl]thiophene-3-carboxamide
PubChem CID48584653
Molecular FormulaC20H24N2O3S
Molecular Weight372.49 g/mol
Exact Mass372.15
IUPAC NameN-[4-[3-(cyclopropylmethoxymethyl)anilino]-4-oxobutyl]thiophene-3-carboxamide
SMILESO=C(CCCNC(=O)c1ccsc1)Nc1cccc(COCC2CC2)c1
InChIInChI=1S/C20H24N2O3S/c23-19(5-2-9-21-20(24)17-8-10-26-14-17)22-18-4-1-3-16(11-18)13-25-12-15-6-7-15/h1,3-4,8,10-11,14-15H,2,5-7,9,12-13H2,(H,21,24)(H,22,23)
InChIKeyFYXSQWSIRLZXTH-UHFFFAOYSA-N
XLogP3.82
TPSA67.43 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds10
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500372.49
LogP ≤ 53.82
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

4-amino-N-[3-(cyclopropylmethoxymethyl)phenyl]pentanamide
CID 120561459
N-[4-[3-(1-cyclopropyltetrazol-5-yl)anilino]-4-oxobutyl]thiophene-3-carboxamide
CID 17496031
N-[4-(4-acetamidoanilino)-4-oxobutyl]thiophene-3-carboxamide
CID 17497888
1-[3-(cyclopropylmethoxymethyl)phenyl]-3-hexylurea
CID 60589978
N-[4-(2,6-difluoroanilino)-4-oxobutyl]thiophene-3-carboxamide
CID 51191676
N-[4-(2,6-dimethylanilino)-4-oxobutyl]thiophene-3-carboxamide
CID 51191802
N-[3-(cyclopropylmethoxymethyl)phenyl]-3,4,5-trimethoxybenzamide
CID 48584262
N-[4-[3-(1-methyltetrazol-5-yl)anilino]-4-oxobutyl]thiophene-3-carboxamide
CID 26124033
N-[4-oxo-4-(2-phenylethylamino)butyl]thiophene-3-carboxamide
CID 18108696
N-[4-(2-hydroxyanilino)-4-oxobutyl]thiophene-3-carboxamide
CID 18126266
N-[3-(cyclopropylmethoxymethyl)phenyl]-3-[(3,4-dimethylphenyl)sulfonylamino]propanamide
CID 48599015
4-(cyclopropanecarbonylamino)-N-[3-(cyclopropylmethoxymethyl)phenyl]benzamide
CID 48584588

Frequently Asked Questions

What is the IUPAC name of N-[4-[3-(cyclopropylmethoxymethyl)anilino]-4-oxobutyl]thiophene-3-carboxamide?
The IUPAC name of N-[4-[3-(cyclopropylmethoxymethyl)anilino]-4-oxobutyl]thiophene-3-carboxamide (CID 48584653) is N-[4-[3-(cyclopropylmethoxymethyl)anilino]-4-oxobutyl]thiophene-3-carboxamide.
What is the SMILES notation for N-[4-[3-(cyclopropylmethoxymethyl)anilino]-4-oxobutyl]thiophene-3-carboxamide?
The canonical SMILES for N-[4-[3-(cyclopropylmethoxymethyl)anilino]-4-oxobutyl]thiophene-3-carboxamide is O=C(CCCNC(=O)c1ccsc1)Nc1cccc(COCC2CC2)c1.
What is the InChIKey of N-[4-[3-(cyclopropylmethoxymethyl)anilino]-4-oxobutyl]thiophene-3-carboxamide?
The InChIKey is FYXSQWSIRLZXTH-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H24N2O3S/c23-19(5-2-9-21-20(24)17-8-10-26-14-17)22-18-4-1-3-16(11-18)13-25-12-15-6-7-15/h1,3-4,8,10-11,14-15H,2,5-7,9,12-13H2,(H,21,24)(H,22,23).
What are the key properties of N-[4-[3-(cyclopropylmethoxymethyl)anilino]-4-oxobutyl]thiophene-3-carboxamide?
N-[4-[3-(cyclopropylmethoxymethyl)anilino]-4-oxobutyl]thiophene-3-carboxamide has a molecular weight of 372.49 g/mol, XLogP of 3.82, 10 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-[3-(cyclopropylmethoxymethyl)anilino]-4-oxobutyl]thiophene-3-carboxamide is sourced from PubChem (CID 48584653), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).