N-[(2-chlorophenyl)methyl]-4-(4-hydroxyphenyl)sulfinylpentanamide

C18H20ClNO3S — CID 90882697

IUPACN-[(2-chlorophenyl)methyl]-4-(4-hydroxyphenyl)sulfinylpentanamide
SMILESCC(CCC(=O)NCc1ccccc1Cl)S(=O)c1ccc(O)cc1
InChIInChI=1S/C18H20ClNO3S/c1-13(24(23)16-9-7-15(21)8-10-16)6-11-18(22)20-12-14-4-2-3-5-17(14)19/h2-5,7-10,13,21H,6,11-12H2,1H3,(H,20,22)
InChIKeyVQDJWLFDQVPLPY-UHFFFAOYSA-N
MW365.88 g/mol
LogP3.64
Rot. Bonds7

About N-[(2-chlorophenyl)methyl]-4-(4-hydroxyphenyl)sulfinylpentanamide

N-[(2-chlorophenyl)methyl]-4-(4-hydroxyphenyl)sulfinylpentanamide (PubChem CID 90882697) has the molecular formula C18H20ClNO3S and a molecular weight of 365.88 g/mol. Its IUPAC name is N-[(2-chlorophenyl)methyl]-4-(4-hydroxyphenyl)sulfinylpentanamide.

Molecular Properties

Compound NameN-[(2-chlorophenyl)methyl]-4-(4-hydroxyphenyl)sulfinylpentanamide
PubChem CID90882697
Molecular FormulaC18H20ClNO3S
Molecular Weight365.88 g/mol
Exact Mass365.09
IUPAC NameN-[(2-chlorophenyl)methyl]-4-(4-hydroxyphenyl)sulfinylpentanamide
SMILESCC(CCC(=O)NCc1ccccc1Cl)S(=O)c1ccc(O)cc1
InChIInChI=1S/C18H20ClNO3S/c1-13(24(23)16-9-7-15(21)8-10-16)6-11-18(22)20-12-14-4-2-3-5-17(14)19/h2-5,7-10,13,21H,6,11-12H2,1H3,(H,20,22)
InChIKeyVQDJWLFDQVPLPY-UHFFFAOYSA-N
XLogP3.64
TPSA66.40 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500365.88
LogP ≤ 53.64
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

4-amino-N-[(2-chlorophenyl)methyl]pentanamide;hydrochloride
CID 120558722
N-[(2-chlorophenyl)methyl]-4-oxopentanamide
CID 60636911
3-chloro-N-[(2-chlorophenyl)methyl]propanamide
CID 17126907
4-amino-N-[(2-chlorophenyl)methyl]butanamide
CID 22692149
N-[(2-chlorophenyl)methyl]tetradecanamide
CID 54789460
3-[[3-[(2-chlorophenyl)methylamino]-3-oxopropyl]-methylamino]propanoic acid
CID 119912081
3-[acetyl(butan-2-yl)amino]-N-[(2-chlorophenyl)methyl]propanamide
CID 113116139
N-[(2-chlorophenyl)methyl]-3-[(2-methylphenyl)methylamino]propanamide
CID 109019248
3-[benzyl(propan-2-yl)amino]-N-[(2-chlorophenyl)methyl]propanamide
CID 109021357
1-[(2-chlorophenyl)methyl]-3-propan-2-ylurea
CID 23548600
N-[(2-chlorophenyl)methyl]-2-[[(1S)-1-phenylethyl]amino]acetamide
CID 2684123
2-[[(1R)-1-(2-chlorophenyl)ethyl]amino]-N-[(2-chlorophenyl)methyl]acetamide
CID 9306793

Frequently Asked Questions

What is the IUPAC name of N-[(2-chlorophenyl)methyl]-4-(4-hydroxyphenyl)sulfinylpentanamide?
The IUPAC name of N-[(2-chlorophenyl)methyl]-4-(4-hydroxyphenyl)sulfinylpentanamide (CID 90882697) is N-[(2-chlorophenyl)methyl]-4-(4-hydroxyphenyl)sulfinylpentanamide.
What is the SMILES notation for N-[(2-chlorophenyl)methyl]-4-(4-hydroxyphenyl)sulfinylpentanamide?
The canonical SMILES for N-[(2-chlorophenyl)methyl]-4-(4-hydroxyphenyl)sulfinylpentanamide is CC(CCC(=O)NCc1ccccc1Cl)S(=O)c1ccc(O)cc1.
What is the InChIKey of N-[(2-chlorophenyl)methyl]-4-(4-hydroxyphenyl)sulfinylpentanamide?
The InChIKey is VQDJWLFDQVPLPY-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H20ClNO3S/c1-13(24(23)16-9-7-15(21)8-10-16)6-11-18(22)20-12-14-4-2-3-5-17(14)19/h2-5,7-10,13,21H,6,11-12H2,1H3,(H,20,22).
What are the key properties of N-[(2-chlorophenyl)methyl]-4-(4-hydroxyphenyl)sulfinylpentanamide?
N-[(2-chlorophenyl)methyl]-4-(4-hydroxyphenyl)sulfinylpentanamide has a molecular weight of 365.88 g/mol, XLogP of 3.64, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2-chlorophenyl)methyl]-4-(4-hydroxyphenyl)sulfinylpentanamide is sourced from PubChem (CID 90882697), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).