2-amino-4-(4-fluorophenyl)-N-propylthiophene-3-carboxamide

C14H15FN2OS — CID 82056632

IUPAC2-amino-4-(4-fluorophenyl)-N-propylthiophene-3-carboxamide
SMILESCCCNC(=O)c1c(-c2ccc(F)cc2)csc1N
InChIInChI=1S/C14H15FN2OS/c1-2-7-17-14(18)12-11(8-19-13(12)16)9-3-5-10(15)6-4-9/h3-6,8H,2,7,16H2,1H3,(H,17,18)
InChIKeyHBKGKYCLDPFVFD-UHFFFAOYSA-N
MW278.35 g/mol
LogP3.28
Rot. Bonds4

About 2-amino-4-(4-fluorophenyl)-N-propylthiophene-3-carboxamide

2-amino-4-(4-fluorophenyl)-N-propylthiophene-3-carboxamide (PubChem CID 82056632) has the molecular formula C14H15FN2OS and a molecular weight of 278.35 g/mol. Its IUPAC name is 2-amino-4-(4-fluorophenyl)-N-propylthiophene-3-carboxamide.

Molecular Properties

Compound Name2-amino-4-(4-fluorophenyl)-N-propylthiophene-3-carboxamide
PubChem CID82056632
Molecular FormulaC14H15FN2OS
Molecular Weight278.35 g/mol
Exact Mass278.09
IUPAC Name2-amino-4-(4-fluorophenyl)-N-propylthiophene-3-carboxamide
SMILESCCCNC(=O)c1c(-c2ccc(F)cc2)csc1N
InChIInChI=1S/C14H15FN2OS/c1-2-7-17-14(18)12-11(8-19-13(12)16)9-3-5-10(15)6-4-9/h3-6,8H,2,7,16H2,1H3,(H,17,18)
InChIKeyHBKGKYCLDPFVFD-UHFFFAOYSA-N
XLogP3.28
TPSA55.12 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.35
LogP ≤ 53.28
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

propyl 2-amino-4-(4-methylphenyl)thiophene-3-carboxylate
CID 3795665
2-amino-4-(4-ethoxyphenyl)thiophene-3-carboxylic acid
CID 53443474
3-(4-fluorophenyl)-N-propyl-1,2-thiazole-5-carboxamide
CID 53169211
N-butyl-2,4-diphenylthiophene-3-carboxamide
CID 102375157
2-amino-N-ethyl-4-(4-fluorophenyl)-5-methylthiophene-3-carboxamide
CID 82056985
2,4,6-trifluoro-N-propylbenzamide
CID 65100176
ethyl 2-amino-4-(3,4-dimethylphenyl)thiophene-3-carboxylate
CID 727598
2-amino-N,N-dimethyl-4-[4-(trifluoromethyl)phenyl]thiophene-3-carboxamide
CID 43174821
ethyl 2-amino-4-(4-ethoxyphenyl)thiophene-3-carboxylate
CID 703945
methyl 4-(4-fluorophenyl)-2-(pentanoylamino)thiophene-3-carboxylate
CID 5076598
2-amino-5-(4-methoxyphenyl)-4-methyl-N-propylthiophene-3-carboxamide
CID 63273246
ethyl 4-(4-fluorophenyl)-2-(thiophene-2-carbonylamino)thiophene-3-carboxylate
CID 1189205

Frequently Asked Questions

What is the IUPAC name of 2-amino-4-(4-fluorophenyl)-N-propylthiophene-3-carboxamide?
The IUPAC name of 2-amino-4-(4-fluorophenyl)-N-propylthiophene-3-carboxamide (CID 82056632) is 2-amino-4-(4-fluorophenyl)-N-propylthiophene-3-carboxamide.
What is the SMILES notation for 2-amino-4-(4-fluorophenyl)-N-propylthiophene-3-carboxamide?
The canonical SMILES for 2-amino-4-(4-fluorophenyl)-N-propylthiophene-3-carboxamide is CCCNC(=O)c1c(-c2ccc(F)cc2)csc1N.
What is the InChIKey of 2-amino-4-(4-fluorophenyl)-N-propylthiophene-3-carboxamide?
The InChIKey is HBKGKYCLDPFVFD-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H15FN2OS/c1-2-7-17-14(18)12-11(8-19-13(12)16)9-3-5-10(15)6-4-9/h3-6,8H,2,7,16H2,1H3,(H,17,18).
What are the key properties of 2-amino-4-(4-fluorophenyl)-N-propylthiophene-3-carboxamide?
2-amino-4-(4-fluorophenyl)-N-propylthiophene-3-carboxamide has a molecular weight of 278.35 g/mol, XLogP of 3.28, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-4-(4-fluorophenyl)-N-propylthiophene-3-carboxamide is sourced from PubChem (CID 82056632), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).