N-(3-phenylpropyl)thiophene-2-carboxamide

C14H15NOS — CID 2169712

IUPACN-(3-phenylpropyl)thiophene-2-carboxamide
SMILESO=C(NCCCc1ccccc1)c1cccs1
InChIInChI=1S/C14H15NOS/c16-14(13-9-5-11-17-13)15-10-4-8-12-6-2-1-3-7-12/h1-3,5-7,9,11H,4,8,10H2,(H,15,16)
InChIKeyKZYPKZIQOMGIAS-UHFFFAOYSA-N
MW245.35 g/mol
LogP3.11
Rot. Bonds5

About N-(3-phenylpropyl)thiophene-2-carboxamide

N-(3-phenylpropyl)thiophene-2-carboxamide (PubChem CID 2169712) has the molecular formula C14H15NOS and a molecular weight of 245.35 g/mol. Its IUPAC name is N-(3-phenylpropyl)thiophene-2-carboxamide.

Molecular Properties

Compound NameN-(3-phenylpropyl)thiophene-2-carboxamide
PubChem CID2169712
Molecular FormulaC14H15NOS
Molecular Weight245.35 g/mol
Exact Mass245.09
IUPAC NameN-(3-phenylpropyl)thiophene-2-carboxamide
SMILESO=C(NCCCc1ccccc1)c1cccs1
InChIInChI=1S/C14H15NOS/c16-14(13-9-5-11-17-13)15-10-4-8-12-6-2-1-3-7-12/h1-3,5-7,9,11H,4,8,10H2,(H,15,16)
InChIKeyKZYPKZIQOMGIAS-UHFFFAOYSA-N
XLogP3.11
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500245.35
LogP ≤ 53.11
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

(1R)-1-(2-thienylacetylamino)-1-phenylmethylboronic acid
CID 5289378
Thienopyridone
CID 91383855
N-cyclohexylthiophene-2-carboxamide
CID 855035
2-N-hydroxy-5-N-[(1R)-1-phenylethyl]thiophene-2,5-dicarboxamide
CID 10017099
Thiophene derivative, 3d
CID 15984018
Thiophene derivative, 3b
CID 25023796
Thiophene derivative, 3e
CID 25023798
2,2,2-trifluoro-1-[5-({[(1R)-1-phenylethyl]amino}methyl)thiophen-2-yl]ethan-1-one
CID 25023812
N-hydroxy-4-({[(thiophen-3-yl)methyl]amino}methyl)benzamide
CID 163183439
Acetamide, N-(3-trifluoromethylbenzyl)-2-(2-thienyl)-
CID 566340
3-methyl-N-[(4-methylphenyl)methyl]thiophene-2-carboxamide
CID 841341
5-methyl-N-(4-methylbenzyl)-2-thiophenecarboxamide
CID 1224525

Frequently Asked Questions

What is the IUPAC name of N-(3-phenylpropyl)thiophene-2-carboxamide?
The IUPAC name of N-(3-phenylpropyl)thiophene-2-carboxamide (CID 2169712) is N-(3-phenylpropyl)thiophene-2-carboxamide.
What is the SMILES notation for N-(3-phenylpropyl)thiophene-2-carboxamide?
The canonical SMILES for N-(3-phenylpropyl)thiophene-2-carboxamide is O=C(NCCCc1ccccc1)c1cccs1.
What is the InChIKey of N-(3-phenylpropyl)thiophene-2-carboxamide?
The InChIKey is KZYPKZIQOMGIAS-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H15NOS/c16-14(13-9-5-11-17-13)15-10-4-8-12-6-2-1-3-7-12/h1-3,5-7,9,11H,4,8,10H2,(H,15,16).
What are the key properties of N-(3-phenylpropyl)thiophene-2-carboxamide?
N-(3-phenylpropyl)thiophene-2-carboxamide has a molecular weight of 245.35 g/mol, XLogP of 3.11, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-phenylpropyl)thiophene-2-carboxamide is sourced from PubChem (CID 2169712), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).