N-(4-acetylphenyl)-4-[5-(dimethylsulfamoyl)benzotriazol-1-yl]butanamide

C20H23N5O4S — CID 53077664

IUPACN-(4-acetylphenyl)-4-[5-(dimethylsulfamoyl)benzotriazol-1-yl]butanamide
SMILESCC(=O)c1ccc(NC(=O)CCCn2nnc3cc(S(=O)(=O)N(C)C)ccc32)cc1
InChIInChI=1S/C20H23N5O4S/c1-14(26)15-6-8-16(9-7-15)21-20(27)5-4-12-25-19-11-10-17(13-18(19)22-23-25)30(28,29)24(2)3/h6-11,13H,4-5,12H2,1-3H3,(H,21,27)
InChIKeyWLOSKCLVAIJGBE-UHFFFAOYSA-N
MW429.50 g/mol
LogP2.30
Rot. Bonds8

About N-(4-acetylphenyl)-4-[5-(dimethylsulfamoyl)benzotriazol-1-yl]butanamide

N-(4-acetylphenyl)-4-[5-(dimethylsulfamoyl)benzotriazol-1-yl]butanamide (PubChem CID 53077664) has the molecular formula C20H23N5O4S and a molecular weight of 429.50 g/mol. Its IUPAC name is N-(4-acetylphenyl)-4-[5-(dimethylsulfamoyl)benzotriazol-1-yl]butanamide.

Molecular Properties

Compound NameN-(4-acetylphenyl)-4-[5-(dimethylsulfamoyl)benzotriazol-1-yl]butanamide
PubChem CID53077664
Molecular FormulaC20H23N5O4S
Molecular Weight429.50 g/mol
Exact Mass429.15
IUPAC NameN-(4-acetylphenyl)-4-[5-(dimethylsulfamoyl)benzotriazol-1-yl]butanamide
SMILESCC(=O)c1ccc(NC(=O)CCCn2nnc3cc(S(=O)(=O)N(C)C)ccc32)cc1
InChIInChI=1S/C20H23N5O4S/c1-14(26)15-6-8-16(9-7-15)21-20(27)5-4-12-25-19-11-10-17(13-18(19)22-23-25)30(28,29)24(2)3/h6-11,13H,4-5,12H2,1-3H3,(H,21,27)
InChIKeyWLOSKCLVAIJGBE-UHFFFAOYSA-N
XLogP2.30
TPSA114.26 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds8
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500429.50
LogP ≤ 52.30
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Related Compounds

N-(4-acetylphenyl)-3-[5-(dimethylsulfamoyl)benzimidazol-1-yl]propanamide
CID 53064107
N-(4-acetamidophenyl)-3-[5-(diethylsulfamoyl)benzotriazol-1-yl]propanamide
CID 53064568
N-(4-acetylphenyl)-3-(5-piperidin-1-ylsulfonylbenzotriazol-1-yl)propanamide
CID 53064379
4-[5-(dimethylsulfamoyl)benzotriazol-1-yl]-N-(3-pyrrolidin-1-ylpropyl)butanamide
CID 53077736
4-[5-(dimethylsulfamoyl)benzotriazol-1-yl]-N-[[(2S)-oxolan-2-yl]methyl]butanamide
CID 97043859
3-[5-(diethylsulfamoyl)benzotriazol-1-yl]-N-(4-fluorophenyl)propanamide
CID 53064527
3-[5-(dimethylsulfamoyl)benzotriazol-1-yl]-N-(2-fluorophenyl)propanamide
CID 53064456
N-[2-(cyclohexen-1-yl)ethyl]-4-[5-(dimethylsulfamoyl)benzotriazol-1-yl]butanamide
CID 53077726
N-(4-ethylphenyl)-4-(5-piperidin-1-ylsulfonylbenzotriazol-1-yl)butanamide
CID 53077608
N-(5-chloro-2-pyridinyl)-4-[5-(diethylsulfamoyl)benzotriazol-1-yl]butanamide
CID 53077742
ethyl 4-[3-[5-(dimethylsulfamoyl)benzimidazol-1-yl]propanoylamino]benzoate
CID 53064133
1-(3-chloro-4-fluorophenyl)-3-[2-[5-(dimethylsulfamoyl)benzotriazol-1-yl]ethyl]urea
CID 53110907

Frequently Asked Questions

What is the IUPAC name of N-(4-acetylphenyl)-4-[5-(dimethylsulfamoyl)benzotriazol-1-yl]butanamide?
The IUPAC name of N-(4-acetylphenyl)-4-[5-(dimethylsulfamoyl)benzotriazol-1-yl]butanamide (CID 53077664) is N-(4-acetylphenyl)-4-[5-(dimethylsulfamoyl)benzotriazol-1-yl]butanamide.
What is the SMILES notation for N-(4-acetylphenyl)-4-[5-(dimethylsulfamoyl)benzotriazol-1-yl]butanamide?
The canonical SMILES for N-(4-acetylphenyl)-4-[5-(dimethylsulfamoyl)benzotriazol-1-yl]butanamide is CC(=O)c1ccc(NC(=O)CCCn2nnc3cc(S(=O)(=O)N(C)C)ccc32)cc1.
What is the InChIKey of N-(4-acetylphenyl)-4-[5-(dimethylsulfamoyl)benzotriazol-1-yl]butanamide?
The InChIKey is WLOSKCLVAIJGBE-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H23N5O4S/c1-14(26)15-6-8-16(9-7-15)21-20(27)5-4-12-25-19-11-10-17(13-18(19)22-23-25)30(28,29)24(2)3/h6-11,13H,4-5,12H2,1-3H3,(H,21,27).
What are the key properties of N-(4-acetylphenyl)-4-[5-(dimethylsulfamoyl)benzotriazol-1-yl]butanamide?
N-(4-acetylphenyl)-4-[5-(dimethylsulfamoyl)benzotriazol-1-yl]butanamide has a molecular weight of 429.50 g/mol, XLogP of 2.30, 8 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-acetylphenyl)-4-[5-(dimethylsulfamoyl)benzotriazol-1-yl]butanamide is sourced from PubChem (CID 53077664), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).