N-(3-methoxypropyl)-2-[methyl-(1-propan-2-ylbenzotriazol-5-yl)sulfonylamino]acetamide

C16H25N5O4S — CID 46330307

IUPACN-(3-methoxypropyl)-2-[methyl-(1-propan-2-ylbenzotriazol-5-yl)sulfonylamino]acetamide
SMILESCOCCCNC(=O)CN(C)S(=O)(=O)c1ccc2c(c1)nnn2C(C)C
InChIInChI=1S/C16H25N5O4S/c1-12(2)21-15-7-6-13(10-14(15)18-19-21)26(23,24)20(3)11-16(22)17-8-5-9-25-4/h6-7,10,12H,5,8-9,11H2,1-4H3,(H,17,22)
InChIKeyMFVNDBGUBBFURN-UHFFFAOYSA-N
MW383.47 g/mol
LogP0.79
Rot. Bonds9

About N-(3-methoxypropyl)-2-[methyl-(1-propan-2-ylbenzotriazol-5-yl)sulfonylamino]acetamide

N-(3-methoxypropyl)-2-[methyl-(1-propan-2-ylbenzotriazol-5-yl)sulfonylamino]acetamide (PubChem CID 46330307) has the molecular formula C16H25N5O4S and a molecular weight of 383.47 g/mol. Its IUPAC name is N-(3-methoxypropyl)-2-[methyl-(1-propan-2-ylbenzotriazol-5-yl)sulfonylamino]acetamide.

Molecular Properties

Compound NameN-(3-methoxypropyl)-2-[methyl-(1-propan-2-ylbenzotriazol-5-yl)sulfonylamino]acetamide
PubChem CID46330307
Molecular FormulaC16H25N5O4S
Molecular Weight383.47 g/mol
Exact Mass383.16
IUPAC NameN-(3-methoxypropyl)-2-[methyl-(1-propan-2-ylbenzotriazol-5-yl)sulfonylamino]acetamide
SMILESCOCCCNC(=O)CN(C)S(=O)(=O)c1ccc2c(c1)nnn2C(C)C
InChIInChI=1S/C16H25N5O4S/c1-12(2)21-15-7-6-13(10-14(15)18-19-21)26(23,24)20(3)11-16(22)17-8-5-9-25-4/h6-7,10,12H,5,8-9,11H2,1-4H3,(H,17,22)
InChIKeyMFVNDBGUBBFURN-UHFFFAOYSA-N
XLogP0.79
TPSA106.42 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds9
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500383.47
LogP ≤ 50.79
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

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

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Related Compounds

2-[[1-[(2S)-butan-2-yl]benzotriazol-5-yl]sulfonyl-methylamino]-N-butylacetamide
CID 92871354
N-[3-(2-methylpiperidin-1-yl)propyl]-2-[methyl-(1-propan-2-ylbenzotriazol-5-yl)sulfonylamino]acetamide
CID 46330312
2-[(1-butan-2-ylbenzotriazol-5-yl)sulfonyl-methylamino]-N-[2-(dimethylamino)ethyl]acetamide
CID 46330258
N-(furan-2-ylmethyl)-2-[methyl-(1-propan-2-ylbenzotriazol-5-yl)sulfonylamino]acetamide
CID 46330284
2-[methyl-(1-propan-2-ylbenzotriazol-5-yl)sulfonylamino]-N-[(1S)-1-phenylethyl]acetamide
CID 92871359
2-[(1,3-dimethyl-2,4-dioxoquinazolin-6-yl)sulfonyl-methylamino]-N-(3-methoxypropyl)acetamide
CID 20865972
2-[(3-bromophenyl)sulfonyl-methylamino]-N-(3-methoxypropyl)acetamide
CID 60707775
2-[[1-[(2S)-butan-2-yl]benzotriazol-5-yl]sulfonyl-methylamino]-N-[(4-fluorophenyl)methyl]acetamide
CID 92871347
2-[(1-butan-2-ylbenzotriazol-5-yl)sulfonyl-methylamino]-N-[2-(1H-indol-3-yl)ethyl]acetamide
CID 50787570
N-methyl-N-[2-oxo-2-(4-phenylpiperazin-1-yl)ethyl]-1-propan-2-ylbenzotriazole-5-sulfonamide
CID 46330292
2-[[5-(dimethylsulfamoyl)-1-ethylbenzimidazol-2-yl]methyl-methylamino]-N-(3-methoxypropyl)acetamide
CID 55445603
N-(2-methoxyethyl)-2-[methyl(naphthalen-2-ylsulfonyl)amino]acetamide
CID 2207014

Frequently Asked Questions

What is the IUPAC name of N-(3-methoxypropyl)-2-[methyl-(1-propan-2-ylbenzotriazol-5-yl)sulfonylamino]acetamide?
The IUPAC name of N-(3-methoxypropyl)-2-[methyl-(1-propan-2-ylbenzotriazol-5-yl)sulfonylamino]acetamide (CID 46330307) is N-(3-methoxypropyl)-2-[methyl-(1-propan-2-ylbenzotriazol-5-yl)sulfonylamino]acetamide.
What is the SMILES notation for N-(3-methoxypropyl)-2-[methyl-(1-propan-2-ylbenzotriazol-5-yl)sulfonylamino]acetamide?
The canonical SMILES for N-(3-methoxypropyl)-2-[methyl-(1-propan-2-ylbenzotriazol-5-yl)sulfonylamino]acetamide is COCCCNC(=O)CN(C)S(=O)(=O)c1ccc2c(c1)nnn2C(C)C.
What is the InChIKey of N-(3-methoxypropyl)-2-[methyl-(1-propan-2-ylbenzotriazol-5-yl)sulfonylamino]acetamide?
The InChIKey is MFVNDBGUBBFURN-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H25N5O4S/c1-12(2)21-15-7-6-13(10-14(15)18-19-21)26(23,24)20(3)11-16(22)17-8-5-9-25-4/h6-7,10,12H,5,8-9,11H2,1-4H3,(H,17,22).
What are the key properties of N-(3-methoxypropyl)-2-[methyl-(1-propan-2-ylbenzotriazol-5-yl)sulfonylamino]acetamide?
N-(3-methoxypropyl)-2-[methyl-(1-propan-2-ylbenzotriazol-5-yl)sulfonylamino]acetamide has a molecular weight of 383.47 g/mol, XLogP of 0.79, 9 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-methoxypropyl)-2-[methyl-(1-propan-2-ylbenzotriazol-5-yl)sulfonylamino]acetamide is sourced from PubChem (CID 46330307), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).