N-[2-(4-methylphenyl)sulfanylethyl]-2-(phenylcarbamoylamino)acetamide

C18H21N3O2S — CID 24583699

IUPACN-[2-(4-methylphenyl)sulfanylethyl]-2-(phenylcarbamoylamino)acetamide
SMILESCc1ccc(SCCNC(=O)CNC(=O)Nc2ccccc2)cc1
InChIInChI=1S/C18H21N3O2S/c1-14-7-9-16(10-8-14)24-12-11-19-17(22)13-20-18(23)21-15-5-3-2-4-6-15/h2-10H,11-13H2,1H3,(H,19,22)(H2,20,21,23)
InChIKeyBJFLWALTIZCNTH-UHFFFAOYSA-N
MW343.45 g/mol
LogP3.03
Rot. Bonds7

About N-[2-(4-methylphenyl)sulfanylethyl]-2-(phenylcarbamoylamino)acetamide

N-[2-(4-methylphenyl)sulfanylethyl]-2-(phenylcarbamoylamino)acetamide (PubChem CID 24583699) has the molecular formula C18H21N3O2S and a molecular weight of 343.45 g/mol. Its IUPAC name is N-[2-(4-methylphenyl)sulfanylethyl]-2-(phenylcarbamoylamino)acetamide.

Molecular Properties

Compound NameN-[2-(4-methylphenyl)sulfanylethyl]-2-(phenylcarbamoylamino)acetamide
PubChem CID24583699
Molecular FormulaC18H21N3O2S
Molecular Weight343.45 g/mol
Exact Mass343.14
IUPAC NameN-[2-(4-methylphenyl)sulfanylethyl]-2-(phenylcarbamoylamino)acetamide
SMILESCc1ccc(SCCNC(=O)CNC(=O)Nc2ccccc2)cc1
InChIInChI=1S/C18H21N3O2S/c1-14-7-9-16(10-8-14)24-12-11-19-17(22)13-20-18(23)21-15-5-3-2-4-6-15/h2-10H,11-13H2,1H3,(H,19,22)(H2,20,21,23)
InChIKeyBJFLWALTIZCNTH-UHFFFAOYSA-N
XLogP3.03
TPSA70.23 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500343.45
LogP ≤ 53.03
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

2-[[2-[(4-methylphenyl)sulfonylamino]acetyl]amino]-N-(2-phenylsulfanylethyl)acetamide
CID 24549475
N-[2-(4-methylphenyl)sulfanylethyl]-2-phenoxyacetamide
CID 3117798
N-(4-anilinophenyl)-2-(4-methylphenyl)sulfanylacetamide
CID 1244966
2-(cyclopropylmethylamino)-N-[2-(4-methylphenyl)sulfanylethyl]acetamide
CID 119691502
[2-[2-(4-methylphenyl)sulfanylethylamino]-2-oxoethyl] 2-phenylsulfanylacetate
CID 7630193
1-[[2-(4-methylphenyl)sulfanylacetyl]amino]-3-(2-phenylsulfanylethyl)thiourea
CID 9095240
N-(2-hydroxy-2-methylpropyl)-2-(phenylcarbamoylamino)acetamide
CID 65109810
2-methyl-4-[[2-(phenylcarbamoylamino)acetyl]amino]butanoic acid
CID 80536782
2-(2-chlorophenyl)sulfanyl-N-[2-(4-methylphenyl)sulfanylethyl]acetamide
CID 7604280
2-amino-N-[2-(4-methylphenyl)sulfanylethyl]-2-phenylpropanamide
CID 120587289
(2R)-2-(4-methylphenyl)sulfanyl-N-(2-phenylsulfanylethyl)propanamide
CID 9483097
N-phenyl-2-[4-(phenylcarbamoylamino)phenyl]sulfanylacetamide
CID 19712455

Frequently Asked Questions

What is the IUPAC name of N-[2-(4-methylphenyl)sulfanylethyl]-2-(phenylcarbamoylamino)acetamide?
The IUPAC name of N-[2-(4-methylphenyl)sulfanylethyl]-2-(phenylcarbamoylamino)acetamide (CID 24583699) is N-[2-(4-methylphenyl)sulfanylethyl]-2-(phenylcarbamoylamino)acetamide.
What is the SMILES notation for N-[2-(4-methylphenyl)sulfanylethyl]-2-(phenylcarbamoylamino)acetamide?
The canonical SMILES for N-[2-(4-methylphenyl)sulfanylethyl]-2-(phenylcarbamoylamino)acetamide is Cc1ccc(SCCNC(=O)CNC(=O)Nc2ccccc2)cc1.
What is the InChIKey of N-[2-(4-methylphenyl)sulfanylethyl]-2-(phenylcarbamoylamino)acetamide?
The InChIKey is BJFLWALTIZCNTH-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H21N3O2S/c1-14-7-9-16(10-8-14)24-12-11-19-17(22)13-20-18(23)21-15-5-3-2-4-6-15/h2-10H,11-13H2,1H3,(H,19,22)(H2,20,21,23).
What are the key properties of N-[2-(4-methylphenyl)sulfanylethyl]-2-(phenylcarbamoylamino)acetamide?
N-[2-(4-methylphenyl)sulfanylethyl]-2-(phenylcarbamoylamino)acetamide has a molecular weight of 343.45 g/mol, XLogP of 3.03, 7 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(4-methylphenyl)sulfanylethyl]-2-(phenylcarbamoylamino)acetamide is sourced from PubChem (CID 24583699), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).