N-[(4-fluorophenyl)methyl]-N-(furan-2-ylmethyl)-2-[naphthalen-1-ylsulfonyl(propan-2-yl)amino]acetamide

C27H27FN2O4S — CID 4193942

IUPACN-[(4-fluorophenyl)methyl]-N-(furan-2-ylmethyl)-2-[naphthalen-1-ylsulfonyl(propan-2-yl)amino]acetamide
SMILESCC(C)N(CC(=O)N(Cc1ccc(F)cc1)Cc1ccco1)S(=O)(=O)c1cccc2ccccc12
InChIInChI=1S/C27H27FN2O4S/c1-20(2)30(35(32,33)26-11-5-8-22-7-3-4-10-25(22)26)19-27(31)29(18-24-9-6-16-34-24)17-21-12-14-23(28)15-13-21/h3-16,20H,17-19H2,1-2H3
InChIKeyVWKVBSLCQWWQJK-UHFFFAOYSA-N
MW494.59 g/mol
LogP5.20
Rot. Bonds9

About N-[(4-fluorophenyl)methyl]-N-(furan-2-ylmethyl)-2-[naphthalen-1-ylsulfonyl(propan-2-yl)amino]acetamide

N-[(4-fluorophenyl)methyl]-N-(furan-2-ylmethyl)-2-[naphthalen-1-ylsulfonyl(propan-2-yl)amino]acetamide (PubChem CID 4193942) has the molecular formula C27H27FN2O4S and a molecular weight of 494.59 g/mol. Its IUPAC name is N-[(4-fluorophenyl)methyl]-N-(furan-2-ylmethyl)-2-[naphthalen-1-ylsulfonyl(propan-2-yl)amino]acetamide.

Molecular Properties

Compound NameN-[(4-fluorophenyl)methyl]-N-(furan-2-ylmethyl)-2-[naphthalen-1-ylsulfonyl(propan-2-yl)amino]acetamide
PubChem CID4193942
Molecular FormulaC27H27FN2O4S
Molecular Weight494.59 g/mol
Exact Mass494.17
IUPAC NameN-[(4-fluorophenyl)methyl]-N-(furan-2-ylmethyl)-2-[naphthalen-1-ylsulfonyl(propan-2-yl)amino]acetamide
SMILESCC(C)N(CC(=O)N(Cc1ccc(F)cc1)Cc1ccco1)S(=O)(=O)c1cccc2ccccc12
InChIInChI=1S/C27H27FN2O4S/c1-20(2)30(35(32,33)26-11-5-8-22-7-3-4-10-25(22)26)19-27(31)29(18-24-9-6-16-34-24)17-21-12-14-23(28)15-13-21/h3-16,20H,17-19H2,1-2H3
InChIKeyVWKVBSLCQWWQJK-UHFFFAOYSA-N
XLogP5.20
TPSA70.83 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms35
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500494.59
LogP ≤ 55.20
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

N-[2-[(4-fluorophenyl)methyl-(furan-2-ylmethyl)amino]-2-oxoethyl]-2,2-dimethyl-N-propan-2-ylpropanamide
CID 3433525
N-[2-[(4-fluorophenyl)methyl-(furan-2-ylmethyl)amino]-2-oxoethyl]-N-propan-2-ylpropanamide
CID 5169178
N-[(4-fluorophenyl)methyl]-N-(furan-2-ylmethyl)-2-[naphthalen-1-ylcarbamoyl(propyl)amino]acetamide
CID 3601767
N-[(4-fluorophenyl)methyl]-N-(furan-2-ylmethyl)-2-[(4-methoxyphenyl)sulfonyl-(2-methylpropyl)amino]acetamide
CID 3294592
3-chloro-N-[2-[(4-fluorophenyl)methyl-(furan-2-ylmethyl)amino]-2-oxoethyl]-2,2-dimethyl-N-propan-2-ylpropanamide
CID 4068330
2-[(2,6-dimethylphenyl)carbamoyl-propan-2-ylamino]-N-[(4-fluorophenyl)methyl]-N-(furan-2-ylmethyl)acetamide
CID 4278791
2-amino-N-[(4-fluorophenyl)methyl]-N-(furan-2-ylmethyl)acetamide
CID 39362089
2-[benzenesulfonyl(2-methoxyethyl)amino]-N-[(4-fluorophenyl)methyl]-N-(furan-2-ylmethyl)acetamide
CID 42664764
3-chloro-N-[2-[(4-fluorophenyl)methyl-(furan-2-ylmethyl)amino]-2-oxoethyl]-N-propan-2-ylbenzamide
CID 3355017
2-[acetyl(propyl)amino]-N-[(4-fluorophenyl)methyl]-N-(furan-2-ylmethyl)acetamide
CID 42773488
N-benzyl-2-[butan-2-yl(naphthalen-1-ylsulfonyl)amino]-N-(thiophen-2-ylmethyl)acetamide
CID 4032302
N-[2-[(4-fluorophenyl)methyl-(furan-2-ylmethyl)amino]-2-oxoethyl]-N-(2-methylpropyl)-3-phenylprop-2-enamide
CID 4058706

Frequently Asked Questions

What is the IUPAC name of N-[(4-fluorophenyl)methyl]-N-(furan-2-ylmethyl)-2-[naphthalen-1-ylsulfonyl(propan-2-yl)amino]acetamide?
The IUPAC name of N-[(4-fluorophenyl)methyl]-N-(furan-2-ylmethyl)-2-[naphthalen-1-ylsulfonyl(propan-2-yl)amino]acetamide (CID 4193942) is N-[(4-fluorophenyl)methyl]-N-(furan-2-ylmethyl)-2-[naphthalen-1-ylsulfonyl(propan-2-yl)amino]acetamide.
What is the SMILES notation for N-[(4-fluorophenyl)methyl]-N-(furan-2-ylmethyl)-2-[naphthalen-1-ylsulfonyl(propan-2-yl)amino]acetamide?
The canonical SMILES for N-[(4-fluorophenyl)methyl]-N-(furan-2-ylmethyl)-2-[naphthalen-1-ylsulfonyl(propan-2-yl)amino]acetamide is CC(C)N(CC(=O)N(Cc1ccc(F)cc1)Cc1ccco1)S(=O)(=O)c1cccc2ccccc12.
What is the InChIKey of N-[(4-fluorophenyl)methyl]-N-(furan-2-ylmethyl)-2-[naphthalen-1-ylsulfonyl(propan-2-yl)amino]acetamide?
The InChIKey is VWKVBSLCQWWQJK-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H27FN2O4S/c1-20(2)30(35(32,33)26-11-5-8-22-7-3-4-10-25(22)26)19-27(31)29(18-24-9-6-16-34-24)17-21-12-14-23(28)15-13-21/h3-16,20H,17-19H2,1-2H3.
What are the key properties of N-[(4-fluorophenyl)methyl]-N-(furan-2-ylmethyl)-2-[naphthalen-1-ylsulfonyl(propan-2-yl)amino]acetamide?
N-[(4-fluorophenyl)methyl]-N-(furan-2-ylmethyl)-2-[naphthalen-1-ylsulfonyl(propan-2-yl)amino]acetamide has a molecular weight of 494.59 g/mol, XLogP of 5.20, 9 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(4-fluorophenyl)methyl]-N-(furan-2-ylmethyl)-2-[naphthalen-1-ylsulfonyl(propan-2-yl)amino]acetamide is sourced from PubChem (CID 4193942), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).