3-amino-5-(dimethylsulfamoyl)-N-methyl-N-(1-pyridin-2-ylethyl)benzamide

C17H22N4O3S — CID 118759550

IUPAC3-amino-5-(dimethylsulfamoyl)-N-methyl-N-(1-pyridin-2-ylethyl)benzamide
SMILESCC(c1ccccn1)N(C)C(=O)c1cc(N)cc(S(=O)(=O)N(C)C)c1
InChIInChI=1S/C17H22N4O3S/c1-12(16-7-5-6-8-19-16)21(4)17(22)13-9-14(18)11-15(10-13)25(23,24)20(2)3/h5-12H,18H2,1-4H3
InChIKeyYGUCMMZAKSPRQK-UHFFFAOYSA-N
MW362.46 g/mol
LogP1.75
Rot. Bonds5

About 3-amino-5-(dimethylsulfamoyl)-N-methyl-N-(1-pyridin-2-ylethyl)benzamide

3-amino-5-(dimethylsulfamoyl)-N-methyl-N-(1-pyridin-2-ylethyl)benzamide (PubChem CID 118759550) has the molecular formula C17H22N4O3S and a molecular weight of 362.46 g/mol. Its IUPAC name is 3-amino-5-(dimethylsulfamoyl)-N-methyl-N-(1-pyridin-2-ylethyl)benzamide.

Molecular Properties

Compound Name3-amino-5-(dimethylsulfamoyl)-N-methyl-N-(1-pyridin-2-ylethyl)benzamide
PubChem CID118759550
Molecular FormulaC17H22N4O3S
Molecular Weight362.46 g/mol
Exact Mass362.14
IUPAC Name3-amino-5-(dimethylsulfamoyl)-N-methyl-N-(1-pyridin-2-ylethyl)benzamide
SMILESCC(c1ccccn1)N(C)C(=O)c1cc(N)cc(S(=O)(=O)N(C)C)c1
InChIInChI=1S/C17H22N4O3S/c1-12(16-7-5-6-8-19-16)21(4)17(22)13-9-14(18)11-15(10-13)25(23,24)20(2)3/h5-12H,18H2,1-4H3
InChIKeyYGUCMMZAKSPRQK-UHFFFAOYSA-N
XLogP1.75
TPSA96.60 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500362.46
LogP ≤ 51.75
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

3-(dimethylsulfamoyl)-N-methyl-5-[[(3S)-3-phenylbutyl]amino]-N-[(1R)-1-pyridin-2-ylethyl]benzamide
CID 26234414
3-[(3,4-dimethylphenyl)methylamino]-5-(dimethylsulfamoyl)-N-methyl-N-(1-pyridin-2-ylethyl)benzamide
CID 45159766
(2R)-2-amino-N-methyl-N-[(1S)-1-pyridin-2-ylethyl]propanamide
CID 124590926
N,2-dimethyl-N-(1-pyridin-2-ylethyl)propanamide
CID 163258537
2-amino-N-methyl-N-[(1S)-1-pyridin-2-ylethyl]acetamide
CID 96555130
3,5-diamino-N-[1-(2-hydroxyphenyl)ethyl]-N-methylbenzamide
CID 61114053
N,4-dimethyl-N-[(1R)-1-pyridin-2-ylethyl]-2-pyrimidin-2-yl-1,3-thiazole-5-carboxamide
CID 97315027
3,5-diamino-N-methyl-N-propan-2-ylbenzamide
CID 61089982
1-methyl-1-(1-pyridin-2-ylethyl)-3-[1-(3-sulfamoylphenyl)ethyl]urea
CID 86861276
4-[(3,5-dimethylpyrazol-1-yl)methyl]-N-methyl-N-[(1S)-1-pyridin-2-ylethyl]benzamide
CID 95228851
3-(1,5-dimethyl-1,2,4-triazol-3-yl)-N-methyl-N-(1-pyridin-2-ylethyl)benzamide
CID 118768447
2-[methyl-[(1R)-1-pyridin-2-ylethyl]amino]acetic acid
CID 95935067

Frequently Asked Questions

What is the IUPAC name of 3-amino-5-(dimethylsulfamoyl)-N-methyl-N-(1-pyridin-2-ylethyl)benzamide?
The IUPAC name of 3-amino-5-(dimethylsulfamoyl)-N-methyl-N-(1-pyridin-2-ylethyl)benzamide (CID 118759550) is 3-amino-5-(dimethylsulfamoyl)-N-methyl-N-(1-pyridin-2-ylethyl)benzamide.
What is the SMILES notation for 3-amino-5-(dimethylsulfamoyl)-N-methyl-N-(1-pyridin-2-ylethyl)benzamide?
The canonical SMILES for 3-amino-5-(dimethylsulfamoyl)-N-methyl-N-(1-pyridin-2-ylethyl)benzamide is CC(c1ccccn1)N(C)C(=O)c1cc(N)cc(S(=O)(=O)N(C)C)c1.
What is the InChIKey of 3-amino-5-(dimethylsulfamoyl)-N-methyl-N-(1-pyridin-2-ylethyl)benzamide?
The InChIKey is YGUCMMZAKSPRQK-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H22N4O3S/c1-12(16-7-5-6-8-19-16)21(4)17(22)13-9-14(18)11-15(10-13)25(23,24)20(2)3/h5-12H,18H2,1-4H3.
What are the key properties of 3-amino-5-(dimethylsulfamoyl)-N-methyl-N-(1-pyridin-2-ylethyl)benzamide?
3-amino-5-(dimethylsulfamoyl)-N-methyl-N-(1-pyridin-2-ylethyl)benzamide has a molecular weight of 362.46 g/mol, XLogP of 1.75, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-5-(dimethylsulfamoyl)-N-methyl-N-(1-pyridin-2-ylethyl)benzamide is sourced from PubChem (CID 118759550), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).