N-[4-(3-butoxypropylcarbamoyl)phenyl]thiophene-2-carboxamide

C19H24N2O3S — CID 27682888

IUPACN-[4-(3-butoxypropylcarbamoyl)phenyl]thiophene-2-carboxamide
SMILESCCCCOCCCNC(=O)c1ccc(NC(=O)c2cccs2)cc1
InChIInChI=1S/C19H24N2O3S/c1-2-3-12-24-13-5-11-20-18(22)15-7-9-16(10-8-15)21-19(23)17-6-4-14-25-17/h4,6-10,14H,2-3,5,11-13H2,1H3,(H,20,22)(H,21,23)
InChIKeyZRRRDFIEUGZPGW-UHFFFAOYSA-N
MW360.48 g/mol
LogP3.94
Rot. Bonds10

About N-[4-(3-butoxypropylcarbamoyl)phenyl]thiophene-2-carboxamide

N-[4-(3-butoxypropylcarbamoyl)phenyl]thiophene-2-carboxamide (PubChem CID 27682888) has the molecular formula C19H24N2O3S and a molecular weight of 360.48 g/mol. Its IUPAC name is N-[4-(3-butoxypropylcarbamoyl)phenyl]thiophene-2-carboxamide.

Molecular Properties

Compound NameN-[4-(3-butoxypropylcarbamoyl)phenyl]thiophene-2-carboxamide
PubChem CID27682888
Molecular FormulaC19H24N2O3S
Molecular Weight360.48 g/mol
Exact Mass360.15
IUPAC NameN-[4-(3-butoxypropylcarbamoyl)phenyl]thiophene-2-carboxamide
SMILESCCCCOCCCNC(=O)c1ccc(NC(=O)c2cccs2)cc1
InChIInChI=1S/C19H24N2O3S/c1-2-3-12-24-13-5-11-20-18(22)15-7-9-16(10-8-15)21-19(23)17-6-4-14-25-17/h4,6-10,14H,2-3,5,11-13H2,1H3,(H,20,22)(H,21,23)
InChIKeyZRRRDFIEUGZPGW-UHFFFAOYSA-N
XLogP3.94
TPSA67.43 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds10
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500360.48
LogP ≤ 53.94
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze N-[4-(3-butoxypropylcarbamoyl)phenyl]thiophene-2-carboxamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-[4-[2-(4-methoxyphenoxy)ethylcarbamoyl]phenyl]thiophene-2-carboxamide
CID 8935656
N-(3-butoxypropyl)-4-(2-ethylbutanoylamino)benzamide
CID 17309234
N-[4-(2-phenylsulfanylethylcarbamoyl)phenyl]thiophene-2-carboxamide
CID 9483103
2-[[4-(thiophene-2-carbonylamino)benzoyl]amino]acetic acid
CID 2731835
[2-oxo-2-(3-propan-2-yloxypropylamino)ethyl] 4-(thiophene-2-carbonylamino)benzoate
CID 18202688
N-[4-[3-[(2R)-2-methylpiperidin-1-yl]propylcarbamoyl]phenyl]thiophene-2-carboxamide
CID 9473547
4-butoxy-N-[2-oxo-2-[2-(thiophene-2-carbonyl)hydrazinyl]ethyl]benzamide
CID 7979296
4-acetamido-N-[3-(2-methoxyethoxy)propyl]benzamide
CID 134029617
2-acetamidoethyl 4-(thiophene-2-carbonylamino)benzoate
CID 9441875
N-[2-[[4-(thiophene-2-carbonylamino)benzoyl]amino]ethyl]furan-2-carboxamide
CID 121062754
N-[3-(2-methylpropoxy)propyl]thiophene-2-carboxamide
CID 60715014
N-[4-(benzylcarbamoyl)phenyl]thiophene-2-carboxamide
CID 2979144

Frequently Asked Questions

What is the IUPAC name of N-[4-(3-butoxypropylcarbamoyl)phenyl]thiophene-2-carboxamide?
The IUPAC name of N-[4-(3-butoxypropylcarbamoyl)phenyl]thiophene-2-carboxamide (CID 27682888) is N-[4-(3-butoxypropylcarbamoyl)phenyl]thiophene-2-carboxamide.
What is the SMILES notation for N-[4-(3-butoxypropylcarbamoyl)phenyl]thiophene-2-carboxamide?
The canonical SMILES for N-[4-(3-butoxypropylcarbamoyl)phenyl]thiophene-2-carboxamide is CCCCOCCCNC(=O)c1ccc(NC(=O)c2cccs2)cc1.
What is the InChIKey of N-[4-(3-butoxypropylcarbamoyl)phenyl]thiophene-2-carboxamide?
The InChIKey is ZRRRDFIEUGZPGW-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H24N2O3S/c1-2-3-12-24-13-5-11-20-18(22)15-7-9-16(10-8-15)21-19(23)17-6-4-14-25-17/h4,6-10,14H,2-3,5,11-13H2,1H3,(H,20,22)(H,21,23).
What are the key properties of N-[4-(3-butoxypropylcarbamoyl)phenyl]thiophene-2-carboxamide?
N-[4-(3-butoxypropylcarbamoyl)phenyl]thiophene-2-carboxamide has a molecular weight of 360.48 g/mol, XLogP of 3.94, 10 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-(3-butoxypropylcarbamoyl)phenyl]thiophene-2-carboxamide is sourced from PubChem (CID 27682888), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).