4-(cyclopropylmethoxy)-N-[2-[(R)-phenylsulfinyl]ethyl]benzamide

C19H21NO3S — CID 95618513

IUPAC4-(cyclopropylmethoxy)-N-[2-[(R)-phenylsulfinyl]ethyl]benzamide
SMILESO=C(NCC[S@@](=O)c1ccccc1)c1ccc(OCC2CC2)cc1
InChIInChI=1S/C19H21NO3S/c21-19(20-12-13-24(22)18-4-2-1-3-5-18)16-8-10-17(11-9-16)23-14-15-6-7-15/h1-5,8-11,15H,6-7,12-14H2,(H,20,21)/t24-/m1/s1
InChIKeyJNDFYWMDFZLRKX-XMMPIXPASA-N
MW343.45 g/mol
LogP3.01
Rot. Bonds8

About 4-(cyclopropylmethoxy)-N-[2-[(R)-phenylsulfinyl]ethyl]benzamide

4-(cyclopropylmethoxy)-N-[2-[(R)-phenylsulfinyl]ethyl]benzamide (PubChem CID 95618513) has the molecular formula C19H21NO3S and a molecular weight of 343.45 g/mol. Its IUPAC name is 4-(cyclopropylmethoxy)-N-[2-[(R)-phenylsulfinyl]ethyl]benzamide.

Molecular Properties

Compound Name4-(cyclopropylmethoxy)-N-[2-[(R)-phenylsulfinyl]ethyl]benzamide
PubChem CID95618513
Molecular FormulaC19H21NO3S
Molecular Weight343.45 g/mol
Exact Mass343.12
IUPAC Name4-(cyclopropylmethoxy)-N-[2-[(R)-phenylsulfinyl]ethyl]benzamide
SMILESO=C(NCC[S@@](=O)c1ccccc1)c1ccc(OCC2CC2)cc1
InChIInChI=1S/C19H21NO3S/c21-19(20-12-13-24(22)18-4-2-1-3-5-18)16-8-10-17(11-9-16)23-14-15-6-7-15/h1-5,8-11,15H,6-7,12-14H2,(H,20,21)/t24-/m1/s1
InChIKeyJNDFYWMDFZLRKX-XMMPIXPASA-N
XLogP3.01
TPSA55.40 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500343.45
LogP ≤ 53.01
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-(3-anilinopropyl)-4-(cyclopropylmethoxy)benzamide
CID 56541657
2-[[4-(cyclopropylmethoxy)benzoyl]amino]acetic acid
CID 66812671
4-(cyclopropylmethoxy)-N-ethylbenzamide
CID 60572461
4-(cyclopropylmethoxy)-N-(3-hydroxy-4-methylpentyl)benzamide
CID 111461405
[[4-(cyclopentylmethoxy)benzoyl]amino]methanesulfinic acid
CID 174758918
4-(cyclopropylmethoxy)-N-[2-(2-fluorophenyl)-2-hydroxyethyl]benzamide
CID 111565689
N-[[4-[(4-methoxyphenoxy)methyl]cyclohexyl]methyl]-4-phenylmethoxybenzamide
CID 58923644
cis-(1R,3S)-3-[[4-(cyclopropylmethoxy)benzoyl]amino]cyclopentane-1-carboxylic acid
CID 120679122
4-(cyclohexylmethoxy)-N-(2-piperazin-1-ylethyl)benzamide
CID 119448595
4-[[4-(methoxymethyl)cyclohexyl]methoxy]benzoic acid
CID 71350280
4-(cyclopropylmethoxy)-N-ethoxybenzamide
CID 60572474
4-(cyclopropylmethoxy)-N-(2-hydroxy-2-thiophen-2-ylpropyl)benzamide
CID 111442251

Frequently Asked Questions

What is the IUPAC name of 4-(cyclopropylmethoxy)-N-[2-[(R)-phenylsulfinyl]ethyl]benzamide?
The IUPAC name of 4-(cyclopropylmethoxy)-N-[2-[(R)-phenylsulfinyl]ethyl]benzamide (CID 95618513) is 4-(cyclopropylmethoxy)-N-[2-[(R)-phenylsulfinyl]ethyl]benzamide.
What is the SMILES notation for 4-(cyclopropylmethoxy)-N-[2-[(R)-phenylsulfinyl]ethyl]benzamide?
The canonical SMILES for 4-(cyclopropylmethoxy)-N-[2-[(R)-phenylsulfinyl]ethyl]benzamide is O=C(NCC[S@@](=O)c1ccccc1)c1ccc(OCC2CC2)cc1.
What is the InChIKey of 4-(cyclopropylmethoxy)-N-[2-[(R)-phenylsulfinyl]ethyl]benzamide?
The InChIKey is JNDFYWMDFZLRKX-XMMPIXPASA-N. The full InChI is InChI=1S/C19H21NO3S/c21-19(20-12-13-24(22)18-4-2-1-3-5-18)16-8-10-17(11-9-16)23-14-15-6-7-15/h1-5,8-11,15H,6-7,12-14H2,(H,20,21)/t24-/m1/s1.
What are the key properties of 4-(cyclopropylmethoxy)-N-[2-[(R)-phenylsulfinyl]ethyl]benzamide?
4-(cyclopropylmethoxy)-N-[2-[(R)-phenylsulfinyl]ethyl]benzamide has a molecular weight of 343.45 g/mol, XLogP of 3.01, 8 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(cyclopropylmethoxy)-N-[2-[(R)-phenylsulfinyl]ethyl]benzamide is sourced from PubChem (CID 95618513), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).