2-butylsulfanyl-N-(2-chloro-4-methoxyphenyl)propanamide

C14H20ClNO2S — CID 86857995

IUPAC2-butylsulfanyl-N-(2-chloro-4-methoxyphenyl)propanamide
SMILESCCCCSC(C)C(=O)Nc1ccc(OC)cc1Cl
InChIInChI=1S/C14H20ClNO2S/c1-4-5-8-19-10(2)14(17)16-13-7-6-11(18-3)9-12(13)15/h6-7,9-10H,4-5,8H2,1-3H3,(H,16,17)
InChIKeyGWYYFDQOZXSNIC-UHFFFAOYSA-N
MW301.84 g/mol
LogP4.21
Rot. Bonds7

About 2-butylsulfanyl-N-(2-chloro-4-methoxyphenyl)propanamide

2-butylsulfanyl-N-(2-chloro-4-methoxyphenyl)propanamide (PubChem CID 86857995) has the molecular formula C14H20ClNO2S and a molecular weight of 301.84 g/mol. Its IUPAC name is 2-butylsulfanyl-N-(2-chloro-4-methoxyphenyl)propanamide.

Molecular Properties

Compound Name2-butylsulfanyl-N-(2-chloro-4-methoxyphenyl)propanamide
PubChem CID86857995
Molecular FormulaC14H20ClNO2S
Molecular Weight301.84 g/mol
Exact Mass301.09
IUPAC Name2-butylsulfanyl-N-(2-chloro-4-methoxyphenyl)propanamide
SMILESCCCCSC(C)C(=O)Nc1ccc(OC)cc1Cl
InChIInChI=1S/C14H20ClNO2S/c1-4-5-8-19-10(2)14(17)16-13-7-6-11(18-3)9-12(13)15/h6-7,9-10H,4-5,8H2,1-3H3,(H,16,17)
InChIKeyGWYYFDQOZXSNIC-UHFFFAOYSA-N
XLogP4.21
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500301.84
LogP ≤ 54.21
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

N-(4-amino-2-chlorophenyl)-2-(3-hydroxypropylsulfanyl)propanamide
CID 66114719
N-(2-chloro-4-methoxyphenyl)-2-cyanobutanamide
CID 115188142
2-butylsulfanyl-N-[1-(2,5-dimethoxyphenyl)ethyl]propanamide
CID 134037876
N-(2-butoxy-5-methoxyphenyl)-2-methylsulfanylpropanamide
CID 47328777
(2-chloro-4-methoxyphenyl)carbamothioic S-acid
CID 115169707
N-(4-amino-2,6-dichlorophenyl)-2-pentylsulfanylpropanamide
CID 107748565
3-(2-butylsulfanylpropanoylamino)-4,5-dimethoxybenzoic acid
CID 119214256
N-(5-chloro-2-methylphenyl)-2-[2-(4-methoxyphenoxy)ethylsulfanyl]propanamide
CID 55436710
2-[(2-chloro-4-methoxyphenyl)carbamoylamino]acetic acid
CID 82500241
2-(4-aminobutylsulfanyl)-N-(2-chlorophenyl)propanamide
CID 82180215
N-(2-chloro-4-methoxyphenyl)-2-propylsulfonylacetamide
CID 86857982
ethyl 2-[1-(4-amino-2-chloroanilino)-1-oxopropan-2-yl]sulfanylacetate
CID 43618307

Frequently Asked Questions

What is the IUPAC name of 2-butylsulfanyl-N-(2-chloro-4-methoxyphenyl)propanamide?
The IUPAC name of 2-butylsulfanyl-N-(2-chloro-4-methoxyphenyl)propanamide (CID 86857995) is 2-butylsulfanyl-N-(2-chloro-4-methoxyphenyl)propanamide.
What is the SMILES notation for 2-butylsulfanyl-N-(2-chloro-4-methoxyphenyl)propanamide?
The canonical SMILES for 2-butylsulfanyl-N-(2-chloro-4-methoxyphenyl)propanamide is CCCCSC(C)C(=O)Nc1ccc(OC)cc1Cl.
What is the InChIKey of 2-butylsulfanyl-N-(2-chloro-4-methoxyphenyl)propanamide?
The InChIKey is GWYYFDQOZXSNIC-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20ClNO2S/c1-4-5-8-19-10(2)14(17)16-13-7-6-11(18-3)9-12(13)15/h6-7,9-10H,4-5,8H2,1-3H3,(H,16,17).
What are the key properties of 2-butylsulfanyl-N-(2-chloro-4-methoxyphenyl)propanamide?
2-butylsulfanyl-N-(2-chloro-4-methoxyphenyl)propanamide has a molecular weight of 301.84 g/mol, XLogP of 4.21, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-butylsulfanyl-N-(2-chloro-4-methoxyphenyl)propanamide is sourced from PubChem (CID 86857995), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).