3-(ethylsulfamoyl)-N-propan-2-yl-N-(pyridin-3-ylmethyl)benzamide

C18H23N3O3S — CID 55818997

IUPAC3-(ethylsulfamoyl)-N-propan-2-yl-N-(pyridin-3-ylmethyl)benzamide
SMILESCCNS(=O)(=O)c1cccc(C(=O)N(Cc2cccnc2)C(C)C)c1
InChIInChI=1S/C18H23N3O3S/c1-4-20-25(23,24)17-9-5-8-16(11-17)18(22)21(14(2)3)13-15-7-6-10-19-12-15/h5-12,14,20H,4,13H2,1-3H3
InChIKeyJSBAIHHRAXCPAA-UHFFFAOYSA-N
MW361.47 g/mol
LogP2.43
Rot. Bonds7

About 3-(ethylsulfamoyl)-N-propan-2-yl-N-(pyridin-3-ylmethyl)benzamide

3-(ethylsulfamoyl)-N-propan-2-yl-N-(pyridin-3-ylmethyl)benzamide (PubChem CID 55818997) has the molecular formula C18H23N3O3S and a molecular weight of 361.47 g/mol. Its IUPAC name is 3-(ethylsulfamoyl)-N-propan-2-yl-N-(pyridin-3-ylmethyl)benzamide.

Molecular Properties

Compound Name3-(ethylsulfamoyl)-N-propan-2-yl-N-(pyridin-3-ylmethyl)benzamide
PubChem CID55818997
Molecular FormulaC18H23N3O3S
Molecular Weight361.47 g/mol
Exact Mass361.15
IUPAC Name3-(ethylsulfamoyl)-N-propan-2-yl-N-(pyridin-3-ylmethyl)benzamide
SMILESCCNS(=O)(=O)c1cccc(C(=O)N(Cc2cccnc2)C(C)C)c1
InChIInChI=1S/C18H23N3O3S/c1-4-20-25(23,24)17-9-5-8-16(11-17)18(22)21(14(2)3)13-15-7-6-10-19-12-15/h5-12,14,20H,4,13H2,1-3H3
InChIKeyJSBAIHHRAXCPAA-UHFFFAOYSA-N
XLogP2.43
TPSA79.37 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500361.47
LogP ≤ 52.43
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-benzyl-N-butan-2-yl-3-(ethylsulfamoyl)benzamide
CID 56536496
3-(chloromethyl)-N-propan-2-yl-N-(pyridin-3-ylmethyl)benzamide
CID 60948704
3-iodo-N-propan-2-yl-N-(pyridin-3-ylmethyl)benzamide
CID 55820021
3-phenoxy-N-propan-2-yl-N-(pyridin-3-ylmethyl)benzamide
CID 60557001
N-propan-2-yl-3-(propan-2-ylcarbamoylamino)-N-(pyridin-3-ylmethyl)benzamide
CID 51123762
3,5-diamino-N-propan-2-yl-N-(pyridin-3-ylmethyl)benzamide
CID 61116038
N-ethyl-N-phenyl-3-(pyridin-3-ylmethylsulfamoyl)benzamide
CID 109064866
2-[[3-(benzylsulfamoyl)benzoyl]-propan-2-ylamino]acetic acid
CID 119198279
2-chloro-N-propan-2-yl-5-(propan-2-ylsulfamoyl)-N-(pyridin-3-ylmethyl)benzamide
CID 60556723
N,N-dimethyl-3-[[(2S)-2-pyridin-3-yloxypropyl]sulfamoyl]benzamide
CID 99931121
N-[(4-ethylphenyl)methyl]-3-methylsulfonyl-N-(pyridin-3-ylmethyl)benzamide
CID 39738224
5-(diethylsulfamoyl)-2-methyl-N-propan-2-yl-N-(pyridin-3-ylmethyl)benzamide
CID 60556699

Frequently Asked Questions

What is the IUPAC name of 3-(ethylsulfamoyl)-N-propan-2-yl-N-(pyridin-3-ylmethyl)benzamide?
The IUPAC name of 3-(ethylsulfamoyl)-N-propan-2-yl-N-(pyridin-3-ylmethyl)benzamide (CID 55818997) is 3-(ethylsulfamoyl)-N-propan-2-yl-N-(pyridin-3-ylmethyl)benzamide.
What is the SMILES notation for 3-(ethylsulfamoyl)-N-propan-2-yl-N-(pyridin-3-ylmethyl)benzamide?
The canonical SMILES for 3-(ethylsulfamoyl)-N-propan-2-yl-N-(pyridin-3-ylmethyl)benzamide is CCNS(=O)(=O)c1cccc(C(=O)N(Cc2cccnc2)C(C)C)c1.
What is the InChIKey of 3-(ethylsulfamoyl)-N-propan-2-yl-N-(pyridin-3-ylmethyl)benzamide?
The InChIKey is JSBAIHHRAXCPAA-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H23N3O3S/c1-4-20-25(23,24)17-9-5-8-16(11-17)18(22)21(14(2)3)13-15-7-6-10-19-12-15/h5-12,14,20H,4,13H2,1-3H3.
What are the key properties of 3-(ethylsulfamoyl)-N-propan-2-yl-N-(pyridin-3-ylmethyl)benzamide?
3-(ethylsulfamoyl)-N-propan-2-yl-N-(pyridin-3-ylmethyl)benzamide has a molecular weight of 361.47 g/mol, XLogP of 2.43, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(ethylsulfamoyl)-N-propan-2-yl-N-(pyridin-3-ylmethyl)benzamide is sourced from PubChem (CID 55818997), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).