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

C16H24N6O3S — CID 112521419

IUPACN-[4-(diethylamino)-2-methylphenyl]-2-[4-(methanesulfonamido)triazol-2-yl]acetamide
SMILESCCN(CC)c1ccc(NC(=O)Cn2ncc(NS(C)(=O)=O)n2)c(C)c1
InChIInChI=1S/C16H24N6O3S/c1-5-21(6-2)13-7-8-14(12(3)9-13)18-16(23)11-22-17-10-15(19-22)20-26(4,24)25/h7-10H,5-6,11H2,1-4H3,(H,18,23)(H,19,20)
InChIKeyQRYHIFWWWBEYNH-UHFFFAOYSA-N
MW380.47 g/mol
LogP1.44
Rot. Bonds8

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

N-[4-(diethylamino)-2-methylphenyl]-2-[4-(methanesulfonamido)triazol-2-yl]acetamide (PubChem CID 112521419) 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-2-yl]acetamide.

Molecular Properties

Compound NameN-[4-(diethylamino)-2-methylphenyl]-2-[4-(methanesulfonamido)triazol-2-yl]acetamide
PubChem CID112521419
Molecular FormulaC16H24N6O3S
Molecular Weight380.47 g/mol
Exact Mass380.16
IUPAC NameN-[4-(diethylamino)-2-methylphenyl]-2-[4-(methanesulfonamido)triazol-2-yl]acetamide
SMILESCCN(CC)c1ccc(NC(=O)Cn2ncc(NS(C)(=O)=O)n2)c(C)c1
InChIInChI=1S/C16H24N6O3S/c1-5-21(6-2)13-7-8-14(12(3)9-13)18-16(23)11-22-17-10-15(19-22)20-26(4,24)25/h7-10H,5-6,11H2,1-4H3,(H,18,23)(H,19,20)
InChIKeyQRYHIFWWWBEYNH-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-(2,4-dimethylphenyl)-2-[4-(methanesulfonamido)triazol-2-yl]acetamide
CID 112522883
N-[4-(diethylamino)-2-methylphenyl]-2-[4-(methanesulfonamido)triazol-1-yl]acetamide
CID 112521423
N-(2,3-dimethylphenyl)-2-[4-(methanesulfonamido)triazol-2-yl]acetamide
CID 112522586
N-[4-(diethylamino)-2-methylphenyl]butanamide
CID 837078
N-[4-(diethylamino)-2-methylphenyl]-2-(4-methylpiperazin-1-yl)acetamide
CID 44753800
N-[1-[2-[4-(diethylamino)-2-methylanilino]-2-oxoethyl]triazol-4-yl]cyclobutanecarboxamide
CID 112521428
N-[4-(diethylamino)-2-methylphenyl]-N',N'-diethylpropanediamide
CID 108951161
ethyl N-[2-[4-(diethylamino)-2-methylanilino]-2-oxoethyl]carbamate
CID 113001689
tert-butyl N-[2-[4-(diethylamino)-2-methylanilino]-2-oxoethyl]carbamate
CID 113001690
N'-(4-chloro-2-methylphenyl)-N-[4-(diethylamino)-2-methylphenyl]propanediamide
CID 108955230
N-[4-(diethylamino)-2-methylphenyl]-2-(6-oxo-3-pyridin-3-ylpyridazin-1-yl)acetamide
CID 121052464
N-[4-(diethylamino)-2-methylphenyl]-2-(pyridin-4-ylmethylamino)acetamide
CID 108999729

Frequently Asked Questions

What is the IUPAC name of N-[4-(diethylamino)-2-methylphenyl]-2-[4-(methanesulfonamido)triazol-2-yl]acetamide?
The IUPAC name of N-[4-(diethylamino)-2-methylphenyl]-2-[4-(methanesulfonamido)triazol-2-yl]acetamide (CID 112521419) is N-[4-(diethylamino)-2-methylphenyl]-2-[4-(methanesulfonamido)triazol-2-yl]acetamide.
What is the SMILES notation for N-[4-(diethylamino)-2-methylphenyl]-2-[4-(methanesulfonamido)triazol-2-yl]acetamide?
The canonical SMILES for N-[4-(diethylamino)-2-methylphenyl]-2-[4-(methanesulfonamido)triazol-2-yl]acetamide is CCN(CC)c1ccc(NC(=O)Cn2ncc(NS(C)(=O)=O)n2)c(C)c1.
What is the InChIKey of N-[4-(diethylamino)-2-methylphenyl]-2-[4-(methanesulfonamido)triazol-2-yl]acetamide?
The InChIKey is QRYHIFWWWBEYNH-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H24N6O3S/c1-5-21(6-2)13-7-8-14(12(3)9-13)18-16(23)11-22-17-10-15(19-22)20-26(4,24)25/h7-10H,5-6,11H2,1-4H3,(H,18,23)(H,19,20).
What are the key properties of N-[4-(diethylamino)-2-methylphenyl]-2-[4-(methanesulfonamido)triazol-2-yl]acetamide?
N-[4-(diethylamino)-2-methylphenyl]-2-[4-(methanesulfonamido)triazol-2-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-2-yl]acetamide is sourced from PubChem (CID 112521419), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).