2-N-[3-amino-2-[(4-fluorophenyl)methyl]-3-oxopropyl]thiophene-2,4-dicarboxamide

C16H16FN3O3S — CID 56800017

IUPAC2-N-[3-amino-2-[(4-fluorophenyl)methyl]-3-oxopropyl]thiophene-2,4-dicarboxamide
SMILESNC(=O)c1csc(C(=O)NCC(Cc2ccc(F)cc2)C(N)=O)c1
InChIInChI=1S/C16H16FN3O3S/c17-12-3-1-9(2-4-12)5-10(14(18)21)7-20-16(23)13-6-11(8-24-13)15(19)22/h1-4,6,8,10H,5,7H2,(H2,18,21)(H2,19,22)(H,20,23)
InChIKeyIXKCEBSTCPGONG-UHFFFAOYSA-N
MW349.39 g/mol
LogP1.06
Rot. Bonds7

About 2-N-[3-amino-2-[(4-fluorophenyl)methyl]-3-oxopropyl]thiophene-2,4-dicarboxamide

2-N-[3-amino-2-[(4-fluorophenyl)methyl]-3-oxopropyl]thiophene-2,4-dicarboxamide (PubChem CID 56800017) has the molecular formula C16H16FN3O3S and a molecular weight of 349.39 g/mol. Its IUPAC name is 2-N-[3-amino-2-[(4-fluorophenyl)methyl]-3-oxopropyl]thiophene-2,4-dicarboxamide.

Molecular Properties

Compound Name2-N-[3-amino-2-[(4-fluorophenyl)methyl]-3-oxopropyl]thiophene-2,4-dicarboxamide
PubChem CID56800017
Molecular FormulaC16H16FN3O3S
Molecular Weight349.39 g/mol
Exact Mass349.09
IUPAC Name2-N-[3-amino-2-[(4-fluorophenyl)methyl]-3-oxopropyl]thiophene-2,4-dicarboxamide
SMILESNC(=O)c1csc(C(=O)NCC(Cc2ccc(F)cc2)C(N)=O)c1
InChIInChI=1S/C16H16FN3O3S/c17-12-3-1-9(2-4-12)5-10(14(18)21)7-20-16(23)13-6-11(8-24-13)15(19)22/h1-4,6,8,10H,5,7H2,(H2,18,21)(H2,19,22)(H,20,23)
InChIKeyIXKCEBSTCPGONG-UHFFFAOYSA-N
XLogP1.06
TPSA115.28 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500349.39
LogP ≤ 51.06
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

N-[(2R)-3-amino-2-[(4-fluorophenyl)methyl]-3-oxopropyl]-2-methyl-1,3-thiazole-4-carboxamide
CID 95590873
N-[(2R)-3-amino-2-[(4-fluorophenyl)methyl]-3-oxopropyl]thiadiazole-5-carboxamide
CID 95136790
N-[3-amino-2-[(4-fluorophenyl)methyl]-3-oxopropyl]-3-(4-fluorophenyl)-1H-pyrazole-5-carboxamide
CID 47076397
N-[3-amino-2-[(4-fluorophenyl)methyl]-3-oxopropyl]-4-chloro-1,3-thiazole-5-carboxamide
CID 56800018
N-[(2R)-3-amino-2-[(4-fluorophenyl)methyl]-3-oxopropyl]-4-chloro-1,3-thiazole-5-carboxamide
CID 95590890
N-[(2R)-3-amino-2-[(4-fluorophenyl)methyl]-3-oxopropyl]pyrazine-2-carboxamide
CID 95583445
N-[3-amino-2-[(4-fluorophenyl)methyl]-3-oxopropyl]-2,4-dichloro-5-fluorobenzamide
CID 60587400
N-[(2S)-3-amino-2-[(4-fluorophenyl)methyl]-3-oxopropyl]-5-ethylfuran-2-carboxamide
CID 95583298
3-(4-fluorophenyl)-2-[[[2-(2-fluorophenyl)acetyl]amino]methyl]propanamide
CID 56819888
N-[3-amino-2-[(4-fluorophenyl)methyl]-3-oxopropyl]-4-ethylthiadiazole-5-carboxamide
CID 56819872
N-[(2R)-3-amino-2-[(4-fluorophenyl)methyl]-3-oxopropyl]-4,5,6,7-tetrahydro-1,2-benzoxazole-3-carboxamide
CID 95590862
2-[(4-fluorophenyl)methyl]-3-[[2-(4-methoxyphenyl)acetyl]amino]propanamide
CID 56819891

Frequently Asked Questions

What is the IUPAC name of 2-N-[3-amino-2-[(4-fluorophenyl)methyl]-3-oxopropyl]thiophene-2,4-dicarboxamide?
The IUPAC name of 2-N-[3-amino-2-[(4-fluorophenyl)methyl]-3-oxopropyl]thiophene-2,4-dicarboxamide (CID 56800017) is 2-N-[3-amino-2-[(4-fluorophenyl)methyl]-3-oxopropyl]thiophene-2,4-dicarboxamide.
What is the SMILES notation for 2-N-[3-amino-2-[(4-fluorophenyl)methyl]-3-oxopropyl]thiophene-2,4-dicarboxamide?
The canonical SMILES for 2-N-[3-amino-2-[(4-fluorophenyl)methyl]-3-oxopropyl]thiophene-2,4-dicarboxamide is NC(=O)c1csc(C(=O)NCC(Cc2ccc(F)cc2)C(N)=O)c1.
What is the InChIKey of 2-N-[3-amino-2-[(4-fluorophenyl)methyl]-3-oxopropyl]thiophene-2,4-dicarboxamide?
The InChIKey is IXKCEBSTCPGONG-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H16FN3O3S/c17-12-3-1-9(2-4-12)5-10(14(18)21)7-20-16(23)13-6-11(8-24-13)15(19)22/h1-4,6,8,10H,5,7H2,(H2,18,21)(H2,19,22)(H,20,23).
What are the key properties of 2-N-[3-amino-2-[(4-fluorophenyl)methyl]-3-oxopropyl]thiophene-2,4-dicarboxamide?
2-N-[3-amino-2-[(4-fluorophenyl)methyl]-3-oxopropyl]thiophene-2,4-dicarboxamide has a molecular weight of 349.39 g/mol, XLogP of 1.06, 7 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-N-[3-amino-2-[(4-fluorophenyl)methyl]-3-oxopropyl]thiophene-2,4-dicarboxamide is sourced from PubChem (CID 56800017), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).