N-[(4-fluorophenyl)methyl]-2-[2-methylpropyl-(2-phenylsulfanylacetyl)amino]-N-(thiophen-2-ylmethyl)acetamide

C26H29FN2O2S2 — CID 3354998

IUPACN-[(4-fluorophenyl)methyl]-2-[2-methylpropyl-(2-phenylsulfanylacetyl)amino]-N-(thiophen-2-ylmethyl)acetamide
SMILESCC(C)CN(CC(=O)N(Cc1ccc(F)cc1)Cc1cccs1)C(=O)CSc1ccccc1
InChIInChI=1S/C26H29FN2O2S2/c1-20(2)15-28(26(31)19-33-23-7-4-3-5-8-23)18-25(30)29(17-24-9-6-14-32-24)16-21-10-12-22(27)13-11-21/h3-14,20H,15-19H2,1-2H3
InChIKeyRCJYSNHRCREXJM-UHFFFAOYSA-N
MW484.66 g/mol
LogP5.69
Rot. Bonds11

About N-[(4-fluorophenyl)methyl]-2-[2-methylpropyl-(2-phenylsulfanylacetyl)amino]-N-(thiophen-2-ylmethyl)acetamide

N-[(4-fluorophenyl)methyl]-2-[2-methylpropyl-(2-phenylsulfanylacetyl)amino]-N-(thiophen-2-ylmethyl)acetamide (PubChem CID 3354998) has the molecular formula C26H29FN2O2S2 and a molecular weight of 484.66 g/mol. Its IUPAC name is N-[(4-fluorophenyl)methyl]-2-[2-methylpropyl-(2-phenylsulfanylacetyl)amino]-N-(thiophen-2-ylmethyl)acetamide.

Molecular Properties

Compound NameN-[(4-fluorophenyl)methyl]-2-[2-methylpropyl-(2-phenylsulfanylacetyl)amino]-N-(thiophen-2-ylmethyl)acetamide
PubChem CID3354998
Molecular FormulaC26H29FN2O2S2
Molecular Weight484.66 g/mol
Exact Mass484.17
IUPAC NameN-[(4-fluorophenyl)methyl]-2-[2-methylpropyl-(2-phenylsulfanylacetyl)amino]-N-(thiophen-2-ylmethyl)acetamide
SMILESCC(C)CN(CC(=O)N(Cc1ccc(F)cc1)Cc1cccs1)C(=O)CSc1ccccc1
InChIInChI=1S/C26H29FN2O2S2/c1-20(2)15-28(26(31)19-33-23-7-4-3-5-8-23)18-25(30)29(17-24-9-6-14-32-24)16-21-10-12-22(27)13-11-21/h3-14,20H,15-19H2,1-2H3
InChIKeyRCJYSNHRCREXJM-UHFFFAOYSA-N
XLogP5.69
TPSA40.62 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds11
Heavy Atoms33
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500484.66
LogP ≤ 55.69
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

N-[2-[(4-fluorophenyl)methyl-(thiophen-2-ylmethyl)amino]-2-oxoethyl]-N-(2-methylpropyl)furan-2-carboxamide
CID 4577131
N-[2-[benzyl(thiophen-2-ylmethyl)amino]-2-oxoethyl]-N-(2-methylpropyl)hexanamide
CID 3581124
N-[2-[(4-fluorophenyl)methyl-(thiophen-2-ylmethyl)amino]-2-oxoethyl]-3-methoxy-N-(2-methylpropyl)benzamide
CID 4153612
N-[2-[(4-fluorophenyl)methyl-(thiophen-2-ylmethyl)amino]-2-oxoethyl]-2,4-dimethoxy-N-(2-methylpropyl)benzamide
CID 4153608
N-[2-[(4-fluorophenyl)methyl-(thiophen-2-ylmethyl)amino]-2-oxoethyl]-2,2-dimethyl-N-propan-2-ylpropanamide
CID 4155856
N-[2-[(4-fluorophenyl)methyl-(thiophen-2-ylmethyl)amino]-2-oxoethyl]-N-(2-methoxyethyl)-2-methylpropanamide
CID 4564565
2-[butan-2-yl(methylsulfonyl)amino]-N-[(4-fluorophenyl)methyl]-N-(thiophen-2-ylmethyl)acetamide
CID 4295198
N-[2-[(4-fluorophenyl)methyl-(thiophen-2-ylmethyl)amino]-2-oxoethyl]-N-(2-methoxyethyl)-2-phenylacetamide
CID 5056995
trans-(1R,2R)-N-[2-[benzyl(thiophen-2-ylmethyl)amino]-2-oxoethyl]-N-(2-methylpropyl)-2-phenylcyclopropane-1-carboxamide
CID 93114075
N-benzyl-2-[tert-butyl-(4-fluorophenyl)sulfonylamino]-N-(thiophen-2-ylmethyl)acetamide
CID 1060276
N-[2-[(4-fluorophenyl)methyl-(thiophen-2-ylmethyl)amino]-2-oxoethyl]-N-(3-methoxypropyl)-2-phenylbutanamide
CID 4245895
N-[2-[(4-fluorophenyl)methyl-(thiophen-2-ylmethyl)amino]-2-oxoethyl]-N-propan-2-yl-4-(trifluoromethyl)benzamide
CID 4596122

Frequently Asked Questions

What is the IUPAC name of N-[(4-fluorophenyl)methyl]-2-[2-methylpropyl-(2-phenylsulfanylacetyl)amino]-N-(thiophen-2-ylmethyl)acetamide?
The IUPAC name of N-[(4-fluorophenyl)methyl]-2-[2-methylpropyl-(2-phenylsulfanylacetyl)amino]-N-(thiophen-2-ylmethyl)acetamide (CID 3354998) is N-[(4-fluorophenyl)methyl]-2-[2-methylpropyl-(2-phenylsulfanylacetyl)amino]-N-(thiophen-2-ylmethyl)acetamide.
What is the SMILES notation for N-[(4-fluorophenyl)methyl]-2-[2-methylpropyl-(2-phenylsulfanylacetyl)amino]-N-(thiophen-2-ylmethyl)acetamide?
The canonical SMILES for N-[(4-fluorophenyl)methyl]-2-[2-methylpropyl-(2-phenylsulfanylacetyl)amino]-N-(thiophen-2-ylmethyl)acetamide is CC(C)CN(CC(=O)N(Cc1ccc(F)cc1)Cc1cccs1)C(=O)CSc1ccccc1.
What is the InChIKey of N-[(4-fluorophenyl)methyl]-2-[2-methylpropyl-(2-phenylsulfanylacetyl)amino]-N-(thiophen-2-ylmethyl)acetamide?
The InChIKey is RCJYSNHRCREXJM-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H29FN2O2S2/c1-20(2)15-28(26(31)19-33-23-7-4-3-5-8-23)18-25(30)29(17-24-9-6-14-32-24)16-21-10-12-22(27)13-11-21/h3-14,20H,15-19H2,1-2H3.
What are the key properties of N-[(4-fluorophenyl)methyl]-2-[2-methylpropyl-(2-phenylsulfanylacetyl)amino]-N-(thiophen-2-ylmethyl)acetamide?
N-[(4-fluorophenyl)methyl]-2-[2-methylpropyl-(2-phenylsulfanylacetyl)amino]-N-(thiophen-2-ylmethyl)acetamide has a molecular weight of 484.66 g/mol, XLogP of 5.69, 11 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(4-fluorophenyl)methyl]-2-[2-methylpropyl-(2-phenylsulfanylacetyl)amino]-N-(thiophen-2-ylmethyl)acetamide is sourced from PubChem (CID 3354998), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).