N-[4-(diethylamino)-2-methylphenyl]-2-[4-(methanesulfonamido)triazol-1-yl]acetamide

C16H24N6O3S — CID 112521423

IUPACN-[4-(diethylamino)-2-methylphenyl]-2-[4-(methanesulfonamido)triazol-1-yl]acetamide
SMILESCCN(CC)c1ccc(NC(=O)Cn2cc(NS(C)(=O)=O)nn2)c(C)c1
InChIInChI=1S/C16H24N6O3S/c1-5-21(6-2)13-7-8-14(12(3)9-13)17-16(23)11-22-10-15(18-20-22)19-26(4,24)25/h7-10,19H,5-6,11H2,1-4H3,(H,17,23)
InChIKeyISUZUZDXNQWYFM-UHFFFAOYSA-N
MW380.47 g/mol
LogP1.44
Rot. Bonds8

About N-[4-(diethylamino)-2-methylphenyl]-2-[4-(methanesulfonamido)triazol-1-yl]acetamide

N-[4-(diethylamino)-2-methylphenyl]-2-[4-(methanesulfonamido)triazol-1-yl]acetamide (PubChem CID 112521423) has the molecular formula C16H24N6O3S and a molecular weight of 380.47 g/mol. Its IUPAC name is N-[4-(diethylamino)-2-methylphenyl]-2-[4-(methanesulfonamido)triazol-1-yl]acetamide.

Molecular Properties

Compound NameN-[4-(diethylamino)-2-methylphenyl]-2-[4-(methanesulfonamido)triazol-1-yl]acetamide
PubChem CID112521423
Molecular FormulaC16H24N6O3S
Molecular Weight380.47 g/mol
Exact Mass380.16
IUPAC NameN-[4-(diethylamino)-2-methylphenyl]-2-[4-(methanesulfonamido)triazol-1-yl]acetamide
SMILESCCN(CC)c1ccc(NC(=O)Cn2cc(NS(C)(=O)=O)nn2)c(C)c1
InChIInChI=1S/C16H24N6O3S/c1-5-21(6-2)13-7-8-14(12(3)9-13)17-16(23)11-22-10-15(18-20-22)19-26(4,24)25/h7-10,19H,5-6,11H2,1-4H3,(H,17,23)
InChIKeyISUZUZDXNQWYFM-UHFFFAOYSA-N
XLogP1.44
TPSA109.22 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds8
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500380.47
LogP ≤ 51.44
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

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

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Related Compounds

N-[4-(diethylamino)-2-methylphenyl]-2-[4-(methanesulfonamido)triazol-2-yl]acetamide
CID 112521419
N-[1-[2-[4-(diethylamino)-2-methylanilino]-2-oxoethyl]triazol-4-yl]cyclobutanecarboxamide
CID 112521428
N-(3,5-dimethylphenyl)-2-[4-(methanesulfonamido)triazol-1-yl]acetamide
CID 112523889
N-(2,5-dichlorophenyl)-2-[4-(methanesulfonamido)triazol-1-yl]acetamide
CID 112523267
N-(2-chlorophenyl)-2-[4-(methanesulfonamido)triazol-1-yl]acetamide
CID 112520440
2-[4-(methanesulfonamido)triazol-1-yl]-N-(2-methylpyrimidin-5-yl)acetamide
CID 112524243
N-[4-(diethylamino)-2-methylphenyl]butanamide
CID 837078
N-[4-(diethylamino)-2-methylphenyl]-2-(4-methylpiperazin-1-yl)acetamide
CID 44753800
N-(3-chlorophenyl)-2-[4-(methanesulfonamido)triazol-1-yl]acetamide
CID 112521121
N-[4-(diethylamino)-2-methylphenyl]-N',N'-diethylpropanediamide
CID 108951161
N-(2,4-dimethylphenyl)-2-[4-(methanesulfonamido)triazol-2-yl]acetamide
CID 112522883
ethyl N-[2-[4-(diethylamino)-2-methylanilino]-2-oxoethyl]carbamate
CID 113001689

Frequently Asked Questions

What is the IUPAC name of N-[4-(diethylamino)-2-methylphenyl]-2-[4-(methanesulfonamido)triazol-1-yl]acetamide?
The IUPAC name of N-[4-(diethylamino)-2-methylphenyl]-2-[4-(methanesulfonamido)triazol-1-yl]acetamide (CID 112521423) is N-[4-(diethylamino)-2-methylphenyl]-2-[4-(methanesulfonamido)triazol-1-yl]acetamide.
What is the SMILES notation for N-[4-(diethylamino)-2-methylphenyl]-2-[4-(methanesulfonamido)triazol-1-yl]acetamide?
The canonical SMILES for N-[4-(diethylamino)-2-methylphenyl]-2-[4-(methanesulfonamido)triazol-1-yl]acetamide is CCN(CC)c1ccc(NC(=O)Cn2cc(NS(C)(=O)=O)nn2)c(C)c1.
What is the InChIKey of N-[4-(diethylamino)-2-methylphenyl]-2-[4-(methanesulfonamido)triazol-1-yl]acetamide?
The InChIKey is ISUZUZDXNQWYFM-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H24N6O3S/c1-5-21(6-2)13-7-8-14(12(3)9-13)17-16(23)11-22-10-15(18-20-22)19-26(4,24)25/h7-10,19H,5-6,11H2,1-4H3,(H,17,23).
What are the key properties of N-[4-(diethylamino)-2-methylphenyl]-2-[4-(methanesulfonamido)triazol-1-yl]acetamide?
N-[4-(diethylamino)-2-methylphenyl]-2-[4-(methanesulfonamido)triazol-1-yl]acetamide has a molecular weight of 380.47 g/mol, XLogP of 1.44, 8 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-(diethylamino)-2-methylphenyl]-2-[4-(methanesulfonamido)triazol-1-yl]acetamide is sourced from PubChem (CID 112521423), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).