2-(4-chlorophenyl)sulfanyl-N-[4-(diethylamino)-2-methylphenyl]acetamide

C19H23ClN2OS — CID 1298372

IUPAC2-(4-chlorophenyl)sulfanyl-N-[4-(diethylamino)-2-methylphenyl]acetamide
SMILESCCN(CC)c1ccc(NC(=O)CSc2ccc(Cl)cc2)c(C)c1
InChIInChI=1S/C19H23ClN2OS/c1-4-22(5-2)16-8-11-18(14(3)12-16)21-19(23)13-24-17-9-6-15(20)7-10-17/h6-12H,4-5,13H2,1-3H3,(H,21,23)
InChIKeyCIPHGINGZQDOTH-UHFFFAOYSA-N
MW362.93 g/mol
LogP5.23
Rot. Bonds7

About 2-(4-chlorophenyl)sulfanyl-N-[4-(diethylamino)-2-methylphenyl]acetamide

2-(4-chlorophenyl)sulfanyl-N-[4-(diethylamino)-2-methylphenyl]acetamide (PubChem CID 1298372) has the molecular formula C19H23ClN2OS and a molecular weight of 362.93 g/mol. Its IUPAC name is 2-(4-chlorophenyl)sulfanyl-N-[4-(diethylamino)-2-methylphenyl]acetamide.

Molecular Properties

Compound Name2-(4-chlorophenyl)sulfanyl-N-[4-(diethylamino)-2-methylphenyl]acetamide
PubChem CID1298372
Molecular FormulaC19H23ClN2OS
Molecular Weight362.93 g/mol
Exact Mass362.12
IUPAC Name2-(4-chlorophenyl)sulfanyl-N-[4-(diethylamino)-2-methylphenyl]acetamide
SMILESCCN(CC)c1ccc(NC(=O)CSc2ccc(Cl)cc2)c(C)c1
InChIInChI=1S/C19H23ClN2OS/c1-4-22(5-2)16-8-11-18(14(3)12-16)21-19(23)13-24-17-9-6-15(20)7-10-17/h6-12H,4-5,13H2,1-3H3,(H,21,23)
InChIKeyCIPHGINGZQDOTH-UHFFFAOYSA-N
XLogP5.23
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms24
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500362.93
LogP ≤ 55.23
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_A(478)', 'substructure': 'N/A'}

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Related Compounds

N'-(4-chloro-2-methylphenyl)-N-[4-(diethylamino)-2-methylphenyl]propanediamide
CID 108955230
1-(4-chlorophenyl)-3-[4-(diethylamino)-2-methylphenyl]urea chloride
CID 108868696
N-[4-(diethylamino)-2-methylphenyl]butanamide
CID 837078
N'-(4-chloro-2-methylphenyl)-N-[4-(diethylamino)phenyl]propanediamide
CID 108955203
2-(3-chloro-4-methylanilino)-N-[4-(diethylamino)-2-methylphenyl]acetamide
CID 109008653
N-(2,4-dimethylphenyl)-2-(4-methylphenyl)sulfanylacetamide
CID 734052
4-amino-N-[4-(diethylamino)-2-methylphenyl]butanamide
CID 22692306
N'-[2-(4-chlorophenyl)sulfanylacetyl]-4-(diethylamino)benzohydrazide
CID 7434037
N-[4-(diethylamino)-2-methylphenyl]-N',N'-diethylpropanediamide
CID 108951161
N-(4-chlorophenyl)-3-[4-(diethylamino)-2-methylanilino]propanamide
CID 109038169
2-[(4-amino-6-oxo-1H-pyrimidin-2-yl)sulfanyl]-N-[4-(diethylamino)-2-methylphenyl]acetamide
CID 135442475
2-[[2-(4-chlorophenyl)sulfanylacetyl]amino]-5-methylbenzoic acid
CID 4188338

Frequently Asked Questions

What is the IUPAC name of 2-(4-chlorophenyl)sulfanyl-N-[4-(diethylamino)-2-methylphenyl]acetamide?
The IUPAC name of 2-(4-chlorophenyl)sulfanyl-N-[4-(diethylamino)-2-methylphenyl]acetamide (CID 1298372) is 2-(4-chlorophenyl)sulfanyl-N-[4-(diethylamino)-2-methylphenyl]acetamide.
What is the SMILES notation for 2-(4-chlorophenyl)sulfanyl-N-[4-(diethylamino)-2-methylphenyl]acetamide?
The canonical SMILES for 2-(4-chlorophenyl)sulfanyl-N-[4-(diethylamino)-2-methylphenyl]acetamide is CCN(CC)c1ccc(NC(=O)CSc2ccc(Cl)cc2)c(C)c1.
What is the InChIKey of 2-(4-chlorophenyl)sulfanyl-N-[4-(diethylamino)-2-methylphenyl]acetamide?
The InChIKey is CIPHGINGZQDOTH-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H23ClN2OS/c1-4-22(5-2)16-8-11-18(14(3)12-16)21-19(23)13-24-17-9-6-15(20)7-10-17/h6-12H,4-5,13H2,1-3H3,(H,21,23).
What are the key properties of 2-(4-chlorophenyl)sulfanyl-N-[4-(diethylamino)-2-methylphenyl]acetamide?
2-(4-chlorophenyl)sulfanyl-N-[4-(diethylamino)-2-methylphenyl]acetamide has a molecular weight of 362.93 g/mol, XLogP of 5.23, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-chlorophenyl)sulfanyl-N-[4-(diethylamino)-2-methylphenyl]acetamide is sourced from PubChem (CID 1298372), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).