2-[[2-[[(1R)-1-(4-fluorophenyl)-2-methylpropyl]amino]acetyl]amino]thiophene-3-carboxamide

C17H20FN3O2S — CID 9133741

IUPAC2-[[2-[[(1R)-1-(4-fluorophenyl)-2-methylpropyl]amino]acetyl]amino]thiophene-3-carboxamide
SMILESCC(C)[C@@H](NCC(=O)Nc1sccc1C(N)=O)c1ccc(F)cc1
InChIInChI=1S/C17H20FN3O2S/c1-10(2)15(11-3-5-12(18)6-4-11)20-9-14(22)21-17-13(16(19)23)7-8-24-17/h3-8,10,15,20H,9H2,1-2H3,(H2,19,23)(H,21,22)/t15-/m1/s1
InChIKeyWDCPHQTYLUQOSA-OAHLLOKOSA-N
MW349.43 g/mol
LogP2.91
Rot. Bonds7

About 2-[[2-[[(1R)-1-(4-fluorophenyl)-2-methylpropyl]amino]acetyl]amino]thiophene-3-carboxamide

2-[[2-[[(1R)-1-(4-fluorophenyl)-2-methylpropyl]amino]acetyl]amino]thiophene-3-carboxamide (PubChem CID 9133741) has the molecular formula C17H20FN3O2S and a molecular weight of 349.43 g/mol. Its IUPAC name is 2-[[2-[[(1R)-1-(4-fluorophenyl)-2-methylpropyl]amino]acetyl]amino]thiophene-3-carboxamide.

Molecular Properties

Compound Name2-[[2-[[(1R)-1-(4-fluorophenyl)-2-methylpropyl]amino]acetyl]amino]thiophene-3-carboxamide
PubChem CID9133741
Molecular FormulaC17H20FN3O2S
Molecular Weight349.43 g/mol
Exact Mass349.13
IUPAC Name2-[[2-[[(1R)-1-(4-fluorophenyl)-2-methylpropyl]amino]acetyl]amino]thiophene-3-carboxamide
SMILESCC(C)[C@@H](NCC(=O)Nc1sccc1C(N)=O)c1ccc(F)cc1
InChIInChI=1S/C17H20FN3O2S/c1-10(2)15(11-3-5-12(18)6-4-11)20-9-14(22)21-17-13(16(19)23)7-8-24-17/h3-8,10,15,20H,9H2,1-2H3,(H2,19,23)(H,21,22)/t15-/m1/s1
InChIKeyWDCPHQTYLUQOSA-OAHLLOKOSA-N
XLogP2.91
TPSA84.22 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500349.43
LogP ≤ 52.91
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

2-[[2-[[(1R)-1-(3,4-difluorophenyl)ethyl]amino]acetyl]amino]thiophene-3-carboxamide
CID 9377128
2-[[(1S)-1-(4-fluorophenyl)-2-methylpropyl]amino]-N-(1,3,4-thiadiazol-2-yl)acetamide
CID 94471434
2-[[2-[(3-carbamoylthiophen-2-yl)amino]-2-oxoethyl]amino]propanoic acid
CID 43467104
N-(4-acetamidophenyl)-2-[[(1R)-1-(4-fluorophenyl)-2-methylpropyl]amino]acetamide
CID 9133555
N-(2,6-diethylphenyl)-2-[[(1R)-1-(4-fluorophenyl)-2-methylpropyl]amino]acetamide
CID 9133408
2-[3-(4-fluorophenyl)sulfanylpropanoylamino]thiophene-3-carboxamide
CID 7254924
N-(2,6-diethylphenyl)-2-[[(1S)-1-(4-fluorophenyl)-2-methylpropyl]amino]acetamide
CID 9133410
2-[[(1S)-1-(4-fluorophenyl)-2-methylpropyl]amino]-N-(3-methylphenyl)acetamide
CID 9133292
N-(3-cyanothiophen-2-yl)-3-[[1-(4-fluorophenyl)-2-methylpropyl]amino]propanamide
CID 18089068
N-[2-(ethylamino)-2-oxoethyl]-2-[[(1S)-1-(4-fluorophenyl)-2-methylpropyl]amino]acetamide
CID 9134101
2-[[(1S)-1-(4-fluorophenyl)-2-methylpropyl]amino]-N-[(1R)-1-phenylethyl]acetamide
CID 9133439
2-[[2-[methyl-[(4-propan-2-ylphenyl)methyl]amino]acetyl]amino]thiophene-3-carboxamide
CID 9028907

Frequently Asked Questions

What is the IUPAC name of 2-[[2-[[(1R)-1-(4-fluorophenyl)-2-methylpropyl]amino]acetyl]amino]thiophene-3-carboxamide?
The IUPAC name of 2-[[2-[[(1R)-1-(4-fluorophenyl)-2-methylpropyl]amino]acetyl]amino]thiophene-3-carboxamide (CID 9133741) is 2-[[2-[[(1R)-1-(4-fluorophenyl)-2-methylpropyl]amino]acetyl]amino]thiophene-3-carboxamide.
What is the SMILES notation for 2-[[2-[[(1R)-1-(4-fluorophenyl)-2-methylpropyl]amino]acetyl]amino]thiophene-3-carboxamide?
The canonical SMILES for 2-[[2-[[(1R)-1-(4-fluorophenyl)-2-methylpropyl]amino]acetyl]amino]thiophene-3-carboxamide is CC(C)[C@@H](NCC(=O)Nc1sccc1C(N)=O)c1ccc(F)cc1.
What is the InChIKey of 2-[[2-[[(1R)-1-(4-fluorophenyl)-2-methylpropyl]amino]acetyl]amino]thiophene-3-carboxamide?
The InChIKey is WDCPHQTYLUQOSA-OAHLLOKOSA-N. The full InChI is InChI=1S/C17H20FN3O2S/c1-10(2)15(11-3-5-12(18)6-4-11)20-9-14(22)21-17-13(16(19)23)7-8-24-17/h3-8,10,15,20H,9H2,1-2H3,(H2,19,23)(H,21,22)/t15-/m1/s1.
What are the key properties of 2-[[2-[[(1R)-1-(4-fluorophenyl)-2-methylpropyl]amino]acetyl]amino]thiophene-3-carboxamide?
2-[[2-[[(1R)-1-(4-fluorophenyl)-2-methylpropyl]amino]acetyl]amino]thiophene-3-carboxamide has a molecular weight of 349.43 g/mol, XLogP of 2.91, 7 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[2-[[(1R)-1-(4-fluorophenyl)-2-methylpropyl]amino]acetyl]amino]thiophene-3-carboxamide is sourced from PubChem (CID 9133741), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).