2-[butan-2-yl(methylsulfonyl)amino]-N-[(4-fluorophenyl)methyl]-N-(thiophen-2-ylmethyl)acetamide

C19H25FN2O3S2 — CID 4295198

IUPAC2-[butan-2-yl(methylsulfonyl)amino]-N-[(4-fluorophenyl)methyl]-N-(thiophen-2-ylmethyl)acetamide
SMILESCCC(C)N(CC(=O)N(Cc1ccc(F)cc1)Cc1cccs1)S(C)(=O)=O
InChIInChI=1S/C19H25FN2O3S2/c1-4-15(2)22(27(3,24)25)14-19(23)21(13-18-6-5-11-26-18)12-16-7-9-17(20)10-8-16/h5-11,15H,4,12-14H2,1-3H3
InChIKeyDXQFDDLWKWONGC-UHFFFAOYSA-N
MW412.55 g/mol
LogP3.48
Rot. Bonds9

About 2-[butan-2-yl(methylsulfonyl)amino]-N-[(4-fluorophenyl)methyl]-N-(thiophen-2-ylmethyl)acetamide

2-[butan-2-yl(methylsulfonyl)amino]-N-[(4-fluorophenyl)methyl]-N-(thiophen-2-ylmethyl)acetamide (PubChem CID 4295198) has the molecular formula C19H25FN2O3S2 and a molecular weight of 412.55 g/mol. Its IUPAC name is 2-[butan-2-yl(methylsulfonyl)amino]-N-[(4-fluorophenyl)methyl]-N-(thiophen-2-ylmethyl)acetamide.

Molecular Properties

Compound Name2-[butan-2-yl(methylsulfonyl)amino]-N-[(4-fluorophenyl)methyl]-N-(thiophen-2-ylmethyl)acetamide
PubChem CID4295198
Molecular FormulaC19H25FN2O3S2
Molecular Weight412.55 g/mol
Exact Mass412.13
IUPAC Name2-[butan-2-yl(methylsulfonyl)amino]-N-[(4-fluorophenyl)methyl]-N-(thiophen-2-ylmethyl)acetamide
SMILESCCC(C)N(CC(=O)N(Cc1ccc(F)cc1)Cc1cccs1)S(C)(=O)=O
InChIInChI=1S/C19H25FN2O3S2/c1-4-15(2)22(27(3,24)25)14-19(23)21(13-18-6-5-11-26-18)12-16-7-9-17(20)10-8-16/h5-11,15H,4,12-14H2,1-3H3
InChIKeyDXQFDDLWKWONGC-UHFFFAOYSA-N
XLogP3.48
TPSA57.69 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500412.55
LogP ≤ 53.48
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

2-[butan-2-yl-(4-methylphenyl)sulfonylamino]-N-[(4-fluorophenyl)methyl]-N-(thiophen-2-ylmethyl)acetamide
CID 3409274
2-[butan-2-yl-[3-(trifluoromethyl)phenyl]sulfonylamino]-N-[(4-fluorophenyl)methyl]-N-(thiophen-2-ylmethyl)acetamide
CID 4535917
N-butan-2-yl-N-[2-[(4-fluorophenyl)methyl-(thiophen-2-ylmethyl)amino]-2-oxoethyl]cyclopropanecarboxamide
CID 3703675
N-[2-[(4-fluorophenyl)methyl-(thiophen-2-ylmethyl)amino]-2-oxoethyl]-2,2-dimethyl-N-propan-2-ylpropanamide
CID 4155856
N-butan-2-yl-4-tert-butyl-N-[2-[(4-fluorophenyl)methyl-(thiophen-2-ylmethyl)amino]-2-oxoethyl]benzamide
CID 5098639
N-benzyl-2-[butan-2-yl(naphthalen-1-ylsulfonyl)amino]-N-(thiophen-2-ylmethyl)acetamide
CID 4032302
N-butan-2-yl-N-[2-[(4-fluorophenyl)methyl-(thiophen-2-ylmethyl)amino]-2-oxoethyl]-3,5-bis(trifluoromethyl)benzamide
CID 4550323
N-[2-[(4-fluorophenyl)methyl-(thiophen-2-ylmethyl)amino]-2-oxoethyl]-N-propan-2-yl-4-(trifluoromethyl)benzamide
CID 4596122
N-[2-[(4-fluorophenyl)methyl-(thiophen-2-ylmethyl)amino]-2-oxoethyl]-N-(2-methoxyethyl)-2-methylpropanamide
CID 4564565
N-benzyl-2-[butan-2-yl-(2,5-dichlorophenyl)sulfonylamino]-N-(thiophen-2-ylmethyl)acetamide
CID 3542326
N-[2-[(4-fluorophenyl)methyl-(thiophen-2-ylmethyl)amino]-2-oxoethyl]-N-(2-methylpropyl)furan-2-carboxamide
CID 4577131
N-butan-2-yl-N-[2-[(4-fluorophenyl)methyl-(thiophen-2-ylmethyl)amino]-2-oxoethyl]-3-nitrobenzamide
CID 4672481

Frequently Asked Questions

What is the IUPAC name of 2-[butan-2-yl(methylsulfonyl)amino]-N-[(4-fluorophenyl)methyl]-N-(thiophen-2-ylmethyl)acetamide?
The IUPAC name of 2-[butan-2-yl(methylsulfonyl)amino]-N-[(4-fluorophenyl)methyl]-N-(thiophen-2-ylmethyl)acetamide (CID 4295198) is 2-[butan-2-yl(methylsulfonyl)amino]-N-[(4-fluorophenyl)methyl]-N-(thiophen-2-ylmethyl)acetamide.
What is the SMILES notation for 2-[butan-2-yl(methylsulfonyl)amino]-N-[(4-fluorophenyl)methyl]-N-(thiophen-2-ylmethyl)acetamide?
The canonical SMILES for 2-[butan-2-yl(methylsulfonyl)amino]-N-[(4-fluorophenyl)methyl]-N-(thiophen-2-ylmethyl)acetamide is CCC(C)N(CC(=O)N(Cc1ccc(F)cc1)Cc1cccs1)S(C)(=O)=O.
What is the InChIKey of 2-[butan-2-yl(methylsulfonyl)amino]-N-[(4-fluorophenyl)methyl]-N-(thiophen-2-ylmethyl)acetamide?
The InChIKey is DXQFDDLWKWONGC-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H25FN2O3S2/c1-4-15(2)22(27(3,24)25)14-19(23)21(13-18-6-5-11-26-18)12-16-7-9-17(20)10-8-16/h5-11,15H,4,12-14H2,1-3H3.
What are the key properties of 2-[butan-2-yl(methylsulfonyl)amino]-N-[(4-fluorophenyl)methyl]-N-(thiophen-2-ylmethyl)acetamide?
2-[butan-2-yl(methylsulfonyl)amino]-N-[(4-fluorophenyl)methyl]-N-(thiophen-2-ylmethyl)acetamide has a molecular weight of 412.55 g/mol, XLogP of 3.48, 9 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[butan-2-yl(methylsulfonyl)amino]-N-[(4-fluorophenyl)methyl]-N-(thiophen-2-ylmethyl)acetamide is sourced from PubChem (CID 4295198), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).