N-benzyl-3-(butanoylamino)thiophene-2-carboxamide

C16H18N2O2S — CID 69315657

IUPACN-benzyl-3-(butanoylamino)thiophene-2-carboxamide
SMILESCCCC(=O)Nc1ccsc1C(=O)NCc1ccccc1
InChIInChI=1S/C16H18N2O2S/c1-2-6-14(19)18-13-9-10-21-15(13)16(20)17-11-12-7-4-3-5-8-12/h3-5,7-10H,2,6,11H2,1H3,(H,17,20)(H,18,19)
InChIKeyYMFPJVVBBKPGOI-UHFFFAOYSA-N
MW302.40 g/mol
LogP3.42
Rot. Bonds6

About N-benzyl-3-(butanoylamino)thiophene-2-carboxamide

N-benzyl-3-(butanoylamino)thiophene-2-carboxamide (PubChem CID 69315657) has the molecular formula C16H18N2O2S and a molecular weight of 302.40 g/mol. Its IUPAC name is N-benzyl-3-(butanoylamino)thiophene-2-carboxamide.

Molecular Properties

Compound NameN-benzyl-3-(butanoylamino)thiophene-2-carboxamide
PubChem CID69315657
Molecular FormulaC16H18N2O2S
Molecular Weight302.40 g/mol
Exact Mass302.11
IUPAC NameN-benzyl-3-(butanoylamino)thiophene-2-carboxamide
SMILESCCCC(=O)Nc1ccsc1C(=O)NCc1ccccc1
InChIInChI=1S/C16H18N2O2S/c1-2-6-14(19)18-13-9-10-21-15(13)16(20)17-11-12-7-4-3-5-8-12/h3-5,7-10H,2,6,11H2,1H3,(H,17,20)(H,18,19)
InChIKeyYMFPJVVBBKPGOI-UHFFFAOYSA-N
XLogP3.42
TPSA58.20 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500302.40
LogP ≤ 53.42
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-benzyl-3-(butanoylamino)thiophene-2-carboxamide?
The IUPAC name of N-benzyl-3-(butanoylamino)thiophene-2-carboxamide (CID 69315657) is N-benzyl-3-(butanoylamino)thiophene-2-carboxamide.
What is the SMILES notation for N-benzyl-3-(butanoylamino)thiophene-2-carboxamide?
The canonical SMILES for N-benzyl-3-(butanoylamino)thiophene-2-carboxamide is CCCC(=O)Nc1ccsc1C(=O)NCc1ccccc1.
What is the InChIKey of N-benzyl-3-(butanoylamino)thiophene-2-carboxamide?
The InChIKey is YMFPJVVBBKPGOI-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H18N2O2S/c1-2-6-14(19)18-13-9-10-21-15(13)16(20)17-11-12-7-4-3-5-8-12/h3-5,7-10H,2,6,11H2,1H3,(H,17,20)(H,18,19).
What are the key properties of N-benzyl-3-(butanoylamino)thiophene-2-carboxamide?
N-benzyl-3-(butanoylamino)thiophene-2-carboxamide has a molecular weight of 302.40 g/mol, XLogP of 3.42, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-benzyl-3-(butanoylamino)thiophene-2-carboxamide is sourced from PubChem (CID 69315657), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).