2-[4-[[2-(3-phenylpropylsulfonyl)acetyl]amino]phenyl]acetamide

C19H22N2O4S — CID 55687459

IUPAC2-[4-[[2-(3-phenylpropylsulfonyl)acetyl]amino]phenyl]acetamide
SMILESNC(=O)Cc1ccc(NC(=O)CS(=O)(=O)CCCc2ccccc2)cc1
InChIInChI=1S/C19H22N2O4S/c20-18(22)13-16-8-10-17(11-9-16)21-19(23)14-26(24,25)12-4-7-15-5-2-1-3-6-15/h1-3,5-6,8-11H,4,7,12-14H2,(H2,20,22)(H,21,23)
InChIKeyINNWSRLVMILFOS-UHFFFAOYSA-N
MW374.46 g/mol
LogP1.70
Rot. Bonds9

About 2-[4-[[2-(3-phenylpropylsulfonyl)acetyl]amino]phenyl]acetamide

2-[4-[[2-(3-phenylpropylsulfonyl)acetyl]amino]phenyl]acetamide (PubChem CID 55687459) has the molecular formula C19H22N2O4S and a molecular weight of 374.46 g/mol. Its IUPAC name is 2-[4-[[2-(3-phenylpropylsulfonyl)acetyl]amino]phenyl]acetamide.

Molecular Properties

Compound Name2-[4-[[2-(3-phenylpropylsulfonyl)acetyl]amino]phenyl]acetamide
PubChem CID55687459
Molecular FormulaC19H22N2O4S
Molecular Weight374.46 g/mol
Exact Mass374.13
IUPAC Name2-[4-[[2-(3-phenylpropylsulfonyl)acetyl]amino]phenyl]acetamide
SMILESNC(=O)Cc1ccc(NC(=O)CS(=O)(=O)CCCc2ccccc2)cc1
InChIInChI=1S/C19H22N2O4S/c20-18(22)13-16-8-10-17(11-9-16)21-19(23)14-26(24,25)12-4-7-15-5-2-1-3-6-15/h1-3,5-6,8-11H,4,7,12-14H2,(H2,20,22)(H,21,23)
InChIKeyINNWSRLVMILFOS-UHFFFAOYSA-N
XLogP1.70
TPSA106.33 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500374.46
LogP ≤ 51.70
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

3-methyl-N-[4-[[2-(3-phenylpropylsulfonyl)acetyl]amino]phenyl]butanamide
CID 55687715
2-(3-phenylpropylsulfonyl)-N-(4-propan-2-ylphenyl)acetamide
CID 39716958
N-(3,4-difluorophenyl)-2-(3-phenylpropylsulfonyl)acetamide
CID 38955056
2-(3-phenylpropylsulfonyl)-N-(4-pyrrolidin-1-ylsulfonylphenyl)acetamide
CID 38953804
2-[4-(phenylcarbamoylamino)phenyl]acetamide
CID 47248811
3-amino-N-[4-(3-phenylpropyl)phenyl]propanamide;hydrochloride
CID 119315336
N-(4-ethylphenyl)-2-(3-hydroxypropylsulfonyl)acetamide
CID 82181831
ethyl 5-[[2-(3-phenylpropylsulfonyl)acetyl]amino]thiadiazole-4-carboxylate
CID 55687711
3-(2-anilino-2-oxoethyl)sulfonylpropanoic acid
CID 24705214
N-[4-(2-bromoethyl)phenyl]-2-phenylacetamide
CID 114310172
2-phenyl-N-(4-propylphenyl)acetamide
CID 126501660
2-[3-[[2-(3-phenylpropylsulfonyl)acetyl]amino]pyrazol-1-yl]acetic acid
CID 119230920

Frequently Asked Questions

What is the IUPAC name of 2-[4-[[2-(3-phenylpropylsulfonyl)acetyl]amino]phenyl]acetamide?
The IUPAC name of 2-[4-[[2-(3-phenylpropylsulfonyl)acetyl]amino]phenyl]acetamide (CID 55687459) is 2-[4-[[2-(3-phenylpropylsulfonyl)acetyl]amino]phenyl]acetamide.
What is the SMILES notation for 2-[4-[[2-(3-phenylpropylsulfonyl)acetyl]amino]phenyl]acetamide?
The canonical SMILES for 2-[4-[[2-(3-phenylpropylsulfonyl)acetyl]amino]phenyl]acetamide is NC(=O)Cc1ccc(NC(=O)CS(=O)(=O)CCCc2ccccc2)cc1.
What is the InChIKey of 2-[4-[[2-(3-phenylpropylsulfonyl)acetyl]amino]phenyl]acetamide?
The InChIKey is INNWSRLVMILFOS-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H22N2O4S/c20-18(22)13-16-8-10-17(11-9-16)21-19(23)14-26(24,25)12-4-7-15-5-2-1-3-6-15/h1-3,5-6,8-11H,4,7,12-14H2,(H2,20,22)(H,21,23).
What are the key properties of 2-[4-[[2-(3-phenylpropylsulfonyl)acetyl]amino]phenyl]acetamide?
2-[4-[[2-(3-phenylpropylsulfonyl)acetyl]amino]phenyl]acetamide has a molecular weight of 374.46 g/mol, XLogP of 1.70, 9 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-[[2-(3-phenylpropylsulfonyl)acetyl]amino]phenyl]acetamide is sourced from PubChem (CID 55687459), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).