N-[(S)-cyclopropyl(phenyl)methyl]-2-[(S)-(3-methoxyphenyl)sulfinyl]acetamide

C19H21NO3S — CID 99841555

IUPACN-[(S)-cyclopropyl(phenyl)methyl]-2-[(S)-(3-methoxyphenyl)sulfinyl]acetamide
SMILESCOc1cccc([S@@](=O)CC(=O)N[C@H](c2ccccc2)C2CC2)c1
InChIInChI=1S/C19H21NO3S/c1-23-16-8-5-9-17(12-16)24(22)13-18(21)20-19(15-10-11-15)14-6-3-2-4-7-14/h2-9,12,15,19H,10-11,13H2,1H3,(H,20,21)/t19-,24+/m1/s1
InChIKeyPRINZFVWGQDVNY-DVECYGJZSA-N
MW343.45 g/mol
LogP3.07
Rot. Bonds7

About N-[(S)-cyclopropyl(phenyl)methyl]-2-[(S)-(3-methoxyphenyl)sulfinyl]acetamide

N-[(S)-cyclopropyl(phenyl)methyl]-2-[(S)-(3-methoxyphenyl)sulfinyl]acetamide (PubChem CID 99841555) has the molecular formula C19H21NO3S and a molecular weight of 343.45 g/mol. Its IUPAC name is N-[(S)-cyclopropyl(phenyl)methyl]-2-[(S)-(3-methoxyphenyl)sulfinyl]acetamide.

Molecular Properties

Compound NameN-[(S)-cyclopropyl(phenyl)methyl]-2-[(S)-(3-methoxyphenyl)sulfinyl]acetamide
PubChem CID99841555
Molecular FormulaC19H21NO3S
Molecular Weight343.45 g/mol
Exact Mass343.12
IUPAC NameN-[(S)-cyclopropyl(phenyl)methyl]-2-[(S)-(3-methoxyphenyl)sulfinyl]acetamide
SMILESCOc1cccc([S@@](=O)CC(=O)N[C@H](c2ccccc2)C2CC2)c1
InChIInChI=1S/C19H21NO3S/c1-23-16-8-5-9-17(12-16)24(22)13-18(21)20-19(15-10-11-15)14-6-3-2-4-7-14/h2-9,12,15,19H,10-11,13H2,1H3,(H,20,21)/t19-,24+/m1/s1
InChIKeyPRINZFVWGQDVNY-DVECYGJZSA-N
XLogP3.07
TPSA55.40 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500343.45
LogP ≤ 53.07
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-[cyclopropyl(phenyl)methyl]-3-(4-methoxyphenyl)propanamide
CID 46539903
N-[cyclopentyl(phenyl)methyl]-2-(4-methoxyphenyl)acetamide
CID 2964253
3-amino-N-[cyclopropyl-(4-methoxyphenyl)methyl]butanamide
CID 61252828
1-(3-methoxyphenyl)sulfinylbutan-2-one
CID 64640851
(1R)-N-[cyclopropyl(phenyl)methyl]-1-(3-methoxyphenyl)ethanamine
CID 81381917
[2-[[(S)-cyclopropyl(phenyl)methyl]amino]-2-oxoethyl] acetate
CID 30313916
N-[(S)-cyclopropyl(phenyl)methyl]-2-[(2-phenoxyacetyl)amino]acetamide
CID 38217020
3-amino-N-[cyclopentyl(phenyl)methyl]butanamide
CID 119737377
N-[cyclopropyl-(4-methoxyphenyl)methyl]benzamide
CID 46566275
1,3-dicyclopropyl-1,3-bis(3-methoxyphenyl)propan-2-one
CID 141244570
N-[cyclopropyl-(4-methylphenyl)methyl]-2-phenoxyacetamide
CID 51296315
2-acetamido-3-(3-methoxyphenyl)sulfinylpropanoic acid
CID 64583525

Frequently Asked Questions

What is the IUPAC name of N-[(S)-cyclopropyl(phenyl)methyl]-2-[(S)-(3-methoxyphenyl)sulfinyl]acetamide?
The IUPAC name of N-[(S)-cyclopropyl(phenyl)methyl]-2-[(S)-(3-methoxyphenyl)sulfinyl]acetamide (CID 99841555) is N-[(S)-cyclopropyl(phenyl)methyl]-2-[(S)-(3-methoxyphenyl)sulfinyl]acetamide.
What is the SMILES notation for N-[(S)-cyclopropyl(phenyl)methyl]-2-[(S)-(3-methoxyphenyl)sulfinyl]acetamide?
The canonical SMILES for N-[(S)-cyclopropyl(phenyl)methyl]-2-[(S)-(3-methoxyphenyl)sulfinyl]acetamide is COc1cccc([S@@](=O)CC(=O)N[C@H](c2ccccc2)C2CC2)c1.
What is the InChIKey of N-[(S)-cyclopropyl(phenyl)methyl]-2-[(S)-(3-methoxyphenyl)sulfinyl]acetamide?
The InChIKey is PRINZFVWGQDVNY-DVECYGJZSA-N. The full InChI is InChI=1S/C19H21NO3S/c1-23-16-8-5-9-17(12-16)24(22)13-18(21)20-19(15-10-11-15)14-6-3-2-4-7-14/h2-9,12,15,19H,10-11,13H2,1H3,(H,20,21)/t19-,24+/m1/s1.
What are the key properties of N-[(S)-cyclopropyl(phenyl)methyl]-2-[(S)-(3-methoxyphenyl)sulfinyl]acetamide?
N-[(S)-cyclopropyl(phenyl)methyl]-2-[(S)-(3-methoxyphenyl)sulfinyl]acetamide has a molecular weight of 343.45 g/mol, XLogP of 3.07, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(S)-cyclopropyl(phenyl)methyl]-2-[(S)-(3-methoxyphenyl)sulfinyl]acetamide is sourced from PubChem (CID 99841555), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).