N-[1-(4-methylphenyl)ethyl]-2-[(4-sulfamoylphenyl)methylamino]acetamide

C18H23N3O3S — CID 50957640

IUPACN-[1-(4-methylphenyl)ethyl]-2-[(4-sulfamoylphenyl)methylamino]acetamide
SMILESCc1ccc(C(C)NC(=O)CNCc2ccc(S(N)(=O)=O)cc2)cc1
InChIInChI=1S/C18H23N3O3S/c1-13-3-7-16(8-4-13)14(2)21-18(22)12-20-11-15-5-9-17(10-6-15)25(19,23)24/h3-10,14,20H,11-12H2,1-2H3,(H,21,22)(H2,19,23,24)
InChIKeyQMLAJFRRIHUONV-UHFFFAOYSA-N
MW361.47 g/mol
LogP1.61
Rot. Bonds7

About N-[1-(4-methylphenyl)ethyl]-2-[(4-sulfamoylphenyl)methylamino]acetamide

N-[1-(4-methylphenyl)ethyl]-2-[(4-sulfamoylphenyl)methylamino]acetamide (PubChem CID 50957640) has the molecular formula C18H23N3O3S and a molecular weight of 361.47 g/mol. Its IUPAC name is N-[1-(4-methylphenyl)ethyl]-2-[(4-sulfamoylphenyl)methylamino]acetamide.

Molecular Properties

Compound NameN-[1-(4-methylphenyl)ethyl]-2-[(4-sulfamoylphenyl)methylamino]acetamide
PubChem CID50957640
Molecular FormulaC18H23N3O3S
Molecular Weight361.47 g/mol
Exact Mass361.15
IUPAC NameN-[1-(4-methylphenyl)ethyl]-2-[(4-sulfamoylphenyl)methylamino]acetamide
SMILESCc1ccc(C(C)NC(=O)CNCc2ccc(S(N)(=O)=O)cc2)cc1
InChIInChI=1S/C18H23N3O3S/c1-13-3-7-16(8-4-13)14(2)21-18(22)12-20-11-15-5-9-17(10-6-15)25(19,23)24/h3-10,14,20H,11-12H2,1-2H3,(H,21,22)(H2,19,23,24)
InChIKeyQMLAJFRRIHUONV-UHFFFAOYSA-N
XLogP1.61
TPSA101.29 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500361.47
LogP ≤ 51.61
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

2-[(4-methylphenyl)methylamino]-N-(1-phenylethyl)acetamide
CID 108997021
2-(4-methylphenyl)sulfanyl-N-[1-(4-sulfamoylphenyl)ethyl]acetamide
CID 51146576
3-amino-N-[1-(4-sulfamoylphenyl)ethyl]propanamide
CID 43702371
2-(N-benzyl-4-methylanilino)-N-[(1S)-1-(4-sulfamoylphenyl)ethyl]acetamide
CID 30781190
N-propan-2-yl-2-[1-(4-sulfamoylphenyl)ethylamino]acetamide
CID 43218255
N'-[1-(4-ethylphenyl)ethyl]-N-[(4-sulfamoylphenyl)methyl]oxamide
CID 108510962
3-(3-methylphenyl)-N-[1-(4-sulfamoylphenyl)ethyl]propanamide
CID 51276671
2-[(4-chlorophenyl)methylsulfanyl]-N-[1-(4-sulfamoylphenyl)ethyl]acetamide
CID 51146585
2-phenylsulfanyl-N-[(1S)-1-(4-sulfamoylphenyl)ethyl]acetamide
CID 2572446
2-(2,5-dimethylphenoxy)-N-[1-(4-sulfamoylphenyl)ethyl]acetamide
CID 51146608
2-(2,5-dimethylphenoxy)-N-[(1S)-1-(4-sulfamoylphenyl)ethyl]acetamide
CID 34662548
3,3-diphenyl-N-[1-(4-sulfamoylphenyl)ethyl]propanamide
CID 4793818

Frequently Asked Questions

What is the IUPAC name of N-[1-(4-methylphenyl)ethyl]-2-[(4-sulfamoylphenyl)methylamino]acetamide?
The IUPAC name of N-[1-(4-methylphenyl)ethyl]-2-[(4-sulfamoylphenyl)methylamino]acetamide (CID 50957640) is N-[1-(4-methylphenyl)ethyl]-2-[(4-sulfamoylphenyl)methylamino]acetamide.
What is the SMILES notation for N-[1-(4-methylphenyl)ethyl]-2-[(4-sulfamoylphenyl)methylamino]acetamide?
The canonical SMILES for N-[1-(4-methylphenyl)ethyl]-2-[(4-sulfamoylphenyl)methylamino]acetamide is Cc1ccc(C(C)NC(=O)CNCc2ccc(S(N)(=O)=O)cc2)cc1.
What is the InChIKey of N-[1-(4-methylphenyl)ethyl]-2-[(4-sulfamoylphenyl)methylamino]acetamide?
The InChIKey is QMLAJFRRIHUONV-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H23N3O3S/c1-13-3-7-16(8-4-13)14(2)21-18(22)12-20-11-15-5-9-17(10-6-15)25(19,23)24/h3-10,14,20H,11-12H2,1-2H3,(H,21,22)(H2,19,23,24).
What are the key properties of N-[1-(4-methylphenyl)ethyl]-2-[(4-sulfamoylphenyl)methylamino]acetamide?
N-[1-(4-methylphenyl)ethyl]-2-[(4-sulfamoylphenyl)methylamino]acetamide has a molecular weight of 361.47 g/mol, XLogP of 1.61, 7 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(4-methylphenyl)ethyl]-2-[(4-sulfamoylphenyl)methylamino]acetamide is sourced from PubChem (CID 50957640), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).