2-[(1-butan-2-ylbenzotriazol-5-yl)sulfonyl-methylamino]-N-[2-(dimethylamino)ethyl]acetamide

C17H28N6O3S — CID 46330258

IUPAC2-[(1-butan-2-ylbenzotriazol-5-yl)sulfonyl-methylamino]-N-[2-(dimethylamino)ethyl]acetamide
SMILESCCC(C)n1nnc2cc(S(=O)(=O)N(C)CC(=O)NCCN(C)C)ccc21
InChIInChI=1S/C17H28N6O3S/c1-6-13(2)23-16-8-7-14(11-15(16)19-20-23)27(25,26)22(5)12-17(24)18-9-10-21(3)4/h7-8,11,13H,6,9-10,12H2,1-5H3,(H,18,24)
InChIKeyYHUWGOTUUYLQMN-UHFFFAOYSA-N
MW396.52 g/mol
LogP0.70
Rot. Bonds9

About 2-[(1-butan-2-ylbenzotriazol-5-yl)sulfonyl-methylamino]-N-[2-(dimethylamino)ethyl]acetamide

2-[(1-butan-2-ylbenzotriazol-5-yl)sulfonyl-methylamino]-N-[2-(dimethylamino)ethyl]acetamide (PubChem CID 46330258) has the molecular formula C17H28N6O3S and a molecular weight of 396.52 g/mol. Its IUPAC name is 2-[(1-butan-2-ylbenzotriazol-5-yl)sulfonyl-methylamino]-N-[2-(dimethylamino)ethyl]acetamide.

Molecular Properties

Compound Name2-[(1-butan-2-ylbenzotriazol-5-yl)sulfonyl-methylamino]-N-[2-(dimethylamino)ethyl]acetamide
PubChem CID46330258
Molecular FormulaC17H28N6O3S
Molecular Weight396.52 g/mol
Exact Mass396.19
IUPAC Name2-[(1-butan-2-ylbenzotriazol-5-yl)sulfonyl-methylamino]-N-[2-(dimethylamino)ethyl]acetamide
SMILESCCC(C)n1nnc2cc(S(=O)(=O)N(C)CC(=O)NCCN(C)C)ccc21
InChIInChI=1S/C17H28N6O3S/c1-6-13(2)23-16-8-7-14(11-15(16)19-20-23)27(25,26)22(5)12-17(24)18-9-10-21(3)4/h7-8,11,13H,6,9-10,12H2,1-5H3,(H,18,24)
InChIKeyYHUWGOTUUYLQMN-UHFFFAOYSA-N
XLogP0.70
TPSA100.43 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds9
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500396.52
LogP ≤ 50.70
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Related Compounds

2-[[1-[(2S)-butan-2-yl]benzotriazol-5-yl]sulfonyl-methylamino]-N-butylacetamide
CID 92871354
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-(3-methoxypropyl)-2-[methyl-(1-propan-2-ylbenzotriazol-5-yl)sulfonylamino]acetamide
CID 46330307
1-butan-2-yl-N-[2-(4-cyclohexylpiperazin-1-yl)-2-oxoethyl]-N-methylbenzotriazole-5-sulfonamide
CID 46330266
N-(furan-2-ylmethyl)-2-[methyl-(1-propan-2-ylbenzotriazol-5-yl)sulfonylamino]acetamide
CID 46330284
N-[3-(2-methylpiperidin-1-yl)propyl]-2-[methyl-(1-propan-2-ylbenzotriazol-5-yl)sulfonylamino]acetamide
CID 46330312
2-[methyl-(1-propan-2-ylbenzotriazol-5-yl)sulfonylamino]-N-[(1S)-1-phenylethyl]acetamide
CID 92871359
N-methyl-N-[2-oxo-2-(4-phenylpiperazin-1-yl)ethyl]-1-propan-2-ylbenzotriazole-5-sulfonamide
CID 46330292
N-butyl-2-[(1,4-dimethyl-2,3-dioxoquinoxalin-6-yl)sulfonyl-methylamino]acetamide
CID 20876083
N-(3-methylbutyl)-2-[methyl-[(2-methyl-1,3-benzothiazol-6-yl)sulfonyl]amino]acetamide
CID 20889174
N-[2-(dimethylamino)ethyl]-4-(5-piperidin-1-ylsulfonylbenzotriazol-1-yl)butanamide
CID 53077605

Frequently Asked Questions

What is the IUPAC name of 2-[(1-butan-2-ylbenzotriazol-5-yl)sulfonyl-methylamino]-N-[2-(dimethylamino)ethyl]acetamide?
The IUPAC name of 2-[(1-butan-2-ylbenzotriazol-5-yl)sulfonyl-methylamino]-N-[2-(dimethylamino)ethyl]acetamide (CID 46330258) is 2-[(1-butan-2-ylbenzotriazol-5-yl)sulfonyl-methylamino]-N-[2-(dimethylamino)ethyl]acetamide.
What is the SMILES notation for 2-[(1-butan-2-ylbenzotriazol-5-yl)sulfonyl-methylamino]-N-[2-(dimethylamino)ethyl]acetamide?
The canonical SMILES for 2-[(1-butan-2-ylbenzotriazol-5-yl)sulfonyl-methylamino]-N-[2-(dimethylamino)ethyl]acetamide is CCC(C)n1nnc2cc(S(=O)(=O)N(C)CC(=O)NCCN(C)C)ccc21.
What is the InChIKey of 2-[(1-butan-2-ylbenzotriazol-5-yl)sulfonyl-methylamino]-N-[2-(dimethylamino)ethyl]acetamide?
The InChIKey is YHUWGOTUUYLQMN-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H28N6O3S/c1-6-13(2)23-16-8-7-14(11-15(16)19-20-23)27(25,26)22(5)12-17(24)18-9-10-21(3)4/h7-8,11,13H,6,9-10,12H2,1-5H3,(H,18,24).
What are the key properties of 2-[(1-butan-2-ylbenzotriazol-5-yl)sulfonyl-methylamino]-N-[2-(dimethylamino)ethyl]acetamide?
2-[(1-butan-2-ylbenzotriazol-5-yl)sulfonyl-methylamino]-N-[2-(dimethylamino)ethyl]acetamide has a molecular weight of 396.52 g/mol, XLogP of 0.70, 9 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(1-butan-2-ylbenzotriazol-5-yl)sulfonyl-methylamino]-N-[2-(dimethylamino)ethyl]acetamide is sourced from PubChem (CID 46330258), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).