N-(furan-2-ylmethyl)-2-[2-methylpropyl(naphthalen-2-ylsulfonyl)amino]-N-(2-phenylethyl)acetamide

C29H32N2O4S — CID 3317247

IUPACN-(furan-2-ylmethyl)-2-[2-methylpropyl(naphthalen-2-ylsulfonyl)amino]-N-(2-phenylethyl)acetamide
SMILESCC(C)CN(CC(=O)N(CCc1ccccc1)Cc1ccco1)S(=O)(=O)c1ccc2ccccc2c1
InChIInChI=1S/C29H32N2O4S/c1-23(2)20-31(36(33,34)28-15-14-25-11-6-7-12-26(25)19-28)22-29(32)30(21-27-13-8-18-35-27)17-16-24-9-4-3-5-10-24/h3-15,18-19,23H,16-17,20-22H2,1-2H3
InChIKeyYHJAVZBFBJONFT-UHFFFAOYSA-N
MW504.65 g/mol
LogP5.35
Rot. Bonds11

About N-(furan-2-ylmethyl)-2-[2-methylpropyl(naphthalen-2-ylsulfonyl)amino]-N-(2-phenylethyl)acetamide

N-(furan-2-ylmethyl)-2-[2-methylpropyl(naphthalen-2-ylsulfonyl)amino]-N-(2-phenylethyl)acetamide (PubChem CID 3317247) has the molecular formula C29H32N2O4S and a molecular weight of 504.65 g/mol. Its IUPAC name is N-(furan-2-ylmethyl)-2-[2-methylpropyl(naphthalen-2-ylsulfonyl)amino]-N-(2-phenylethyl)acetamide.

Molecular Properties

Compound NameN-(furan-2-ylmethyl)-2-[2-methylpropyl(naphthalen-2-ylsulfonyl)amino]-N-(2-phenylethyl)acetamide
PubChem CID3317247
Molecular FormulaC29H32N2O4S
Molecular Weight504.65 g/mol
Exact Mass504.21
IUPAC NameN-(furan-2-ylmethyl)-2-[2-methylpropyl(naphthalen-2-ylsulfonyl)amino]-N-(2-phenylethyl)acetamide
SMILESCC(C)CN(CC(=O)N(CCc1ccccc1)Cc1ccco1)S(=O)(=O)c1ccc2ccccc2c1
InChIInChI=1S/C29H32N2O4S/c1-23(2)20-31(36(33,34)28-15-14-25-11-6-7-12-26(25)19-28)22-29(32)30(21-27-13-8-18-35-27)17-16-24-9-4-3-5-10-24/h3-15,18-19,23H,16-17,20-22H2,1-2H3
InChIKeyYHJAVZBFBJONFT-UHFFFAOYSA-N
XLogP5.35
TPSA70.83 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds11
Heavy Atoms36
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500504.65
LogP ≤ 55.35
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

N-(furan-2-ylmethyl)-2-[(4-methylphenyl)sulfonyl-(2-methylpropyl)amino]-N-(2-phenylethyl)acetamide
CID 3904108
N-(furan-2-ylmethyl)-2-[2-methylpropyl-[3-(trifluoromethyl)phenyl]sulfonylamino]-N-(2-phenylethyl)acetamide
CID 4535974
N-(furan-2-ylmethyl)-2-[2-methylpropyl(quinolin-8-ylsulfonyl)amino]-N-(2-phenylethyl)acetamide
CID 3953201
N-(furan-2-ylmethyl)-2-[(2-methoxyacetyl)-(2-methylpropyl)amino]-N-(2-phenylethyl)acetamide
CID 3665303
4-ethyl-N-[2-[furan-2-ylmethyl(2-phenylethyl)amino]-2-oxoethyl]-N-(2-methylpropyl)benzamide
CID 4030396
N-[2-[furan-2-ylmethyl(2-phenylethyl)amino]-2-oxoethyl]-N-(2-methylpropyl)octanamide
CID 3358499
3-bromo-N-[2-[furan-2-ylmethyl(2-phenylethyl)amino]-2-oxoethyl]-N-(2-methylpropyl)benzamide
CID 3572211
N-[2-[furan-2-ylmethyl(2-phenylethyl)amino]-2-oxoethyl]-2-methyl-N-propan-2-ylpropanamide
CID 3886469
N-[(4-fluorophenyl)methyl]-N-(furan-2-ylmethyl)-2-[(4-methoxyphenyl)sulfonyl-(2-methylpropyl)amino]acetamide
CID 3294592
2-[dimethylcarbamoyl(propan-2-yl)amino]-N-(furan-2-ylmethyl)-N-(2-phenylethyl)acetamide
CID 42772862
N-[2-[furan-2-ylmethyl(2-phenylethyl)amino]-2-oxoethyl]-N-(2-methylpropyl)-2-phenylcyclopropane-1-carboxamide
CID 3925001
N-benzyl-3-[benzyl(naphthalen-2-ylsulfonyl)amino]-N-(2-phenylethyl)propanamide
CID 3930265

Frequently Asked Questions

What is the IUPAC name of N-(furan-2-ylmethyl)-2-[2-methylpropyl(naphthalen-2-ylsulfonyl)amino]-N-(2-phenylethyl)acetamide?
The IUPAC name of N-(furan-2-ylmethyl)-2-[2-methylpropyl(naphthalen-2-ylsulfonyl)amino]-N-(2-phenylethyl)acetamide (CID 3317247) is N-(furan-2-ylmethyl)-2-[2-methylpropyl(naphthalen-2-ylsulfonyl)amino]-N-(2-phenylethyl)acetamide.
What is the SMILES notation for N-(furan-2-ylmethyl)-2-[2-methylpropyl(naphthalen-2-ylsulfonyl)amino]-N-(2-phenylethyl)acetamide?
The canonical SMILES for N-(furan-2-ylmethyl)-2-[2-methylpropyl(naphthalen-2-ylsulfonyl)amino]-N-(2-phenylethyl)acetamide is CC(C)CN(CC(=O)N(CCc1ccccc1)Cc1ccco1)S(=O)(=O)c1ccc2ccccc2c1.
What is the InChIKey of N-(furan-2-ylmethyl)-2-[2-methylpropyl(naphthalen-2-ylsulfonyl)amino]-N-(2-phenylethyl)acetamide?
The InChIKey is YHJAVZBFBJONFT-UHFFFAOYSA-N. The full InChI is InChI=1S/C29H32N2O4S/c1-23(2)20-31(36(33,34)28-15-14-25-11-6-7-12-26(25)19-28)22-29(32)30(21-27-13-8-18-35-27)17-16-24-9-4-3-5-10-24/h3-15,18-19,23H,16-17,20-22H2,1-2H3.
What are the key properties of N-(furan-2-ylmethyl)-2-[2-methylpropyl(naphthalen-2-ylsulfonyl)amino]-N-(2-phenylethyl)acetamide?
N-(furan-2-ylmethyl)-2-[2-methylpropyl(naphthalen-2-ylsulfonyl)amino]-N-(2-phenylethyl)acetamide has a molecular weight of 504.65 g/mol, XLogP of 5.35, 11 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(furan-2-ylmethyl)-2-[2-methylpropyl(naphthalen-2-ylsulfonyl)amino]-N-(2-phenylethyl)acetamide is sourced from PubChem (CID 3317247), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).