3-[[(6-tert-butylsulfonyl-3-pyridinyl)amino]methyl]benzamide

C17H21N3O3S — CID 133373609

IUPAC3-[[(6-tert-butylsulfonyl-3-pyridinyl)amino]methyl]benzamide
SMILESCC(C)(C)S(=O)(=O)c1ccc(NCc2cccc(C(N)=O)c2)cn1
InChIInChI=1S/C17H21N3O3S/c1-17(2,3)24(22,23)15-8-7-14(11-20-15)19-10-12-5-4-6-13(9-12)16(18)21/h4-9,11,19H,10H2,1-3H3,(H2,18,21)
InChIKeyGFPINBXPTCIQMH-UHFFFAOYSA-N
MW347.44 g/mol
LogP2.36
Rot. Bonds5

About 3-[[(6-tert-butylsulfonyl-3-pyridinyl)amino]methyl]benzamide

3-[[(6-tert-butylsulfonyl-3-pyridinyl)amino]methyl]benzamide (PubChem CID 133373609) has the molecular formula C17H21N3O3S and a molecular weight of 347.44 g/mol. Its IUPAC name is 3-[[(6-tert-butylsulfonyl-3-pyridinyl)amino]methyl]benzamide.

Molecular Properties

Compound Name3-[[(6-tert-butylsulfonyl-3-pyridinyl)amino]methyl]benzamide
PubChem CID133373609
Molecular FormulaC17H21N3O3S
Molecular Weight347.44 g/mol
Exact Mass347.13
IUPAC Name3-[[(6-tert-butylsulfonyl-3-pyridinyl)amino]methyl]benzamide
SMILESCC(C)(C)S(=O)(=O)c1ccc(NCc2cccc(C(N)=O)c2)cn1
InChIInChI=1S/C17H21N3O3S/c1-17(2,3)24(22,23)15-8-7-14(11-20-15)19-10-12-5-4-6-13(9-12)16(18)21/h4-9,11,19H,10H2,1-3H3,(H2,18,21)
InChIKeyGFPINBXPTCIQMH-UHFFFAOYSA-N
XLogP2.36
TPSA102.15 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500347.44
LogP ≤ 52.36
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

6-tert-butylsulfonyl-N-[(3-methylphenyl)methyl]pyridin-3-amine
CID 133373480
3-[[(6-methoxy-3-pyridinyl)amino]methyl]benzamide
CID 28564635
3-[(4-tert-butylanilino)methyl]benzamide
CID 28572040
3-[[(5-methyl-3-pyridinyl)amino]methyl]benzamide
CID 103824002
N-[(1-benzylpyrazol-4-yl)methyl]-6-tert-butylsulfonylpyridin-3-amine
CID 133374077
3-[(naphthalen-2-ylamino)methyl]benzamide
CID 43533069
3-[(3-bromo-4-methylanilino)methyl]benzamide
CID 55201932
3-[(3,5-dichloroanilino)methyl]benzamide
CID 28576195
3-[(3,5-difluoroanilino)methyl]benzamide
CID 28584265
3-[[3-(trifluoromethyl)anilino]methyl]benzamide
CID 28571852
1-[(6-tert-butylsulfonyl-3-pyridinyl)amino]-3-phenylpropan-2-ol
CID 133378988
3-[(1H-indazol-6-ylamino)methyl]benzamide
CID 63277483

Frequently Asked Questions

What is the IUPAC name of 3-[[(6-tert-butylsulfonyl-3-pyridinyl)amino]methyl]benzamide?
The IUPAC name of 3-[[(6-tert-butylsulfonyl-3-pyridinyl)amino]methyl]benzamide (CID 133373609) is 3-[[(6-tert-butylsulfonyl-3-pyridinyl)amino]methyl]benzamide.
What is the SMILES notation for 3-[[(6-tert-butylsulfonyl-3-pyridinyl)amino]methyl]benzamide?
The canonical SMILES for 3-[[(6-tert-butylsulfonyl-3-pyridinyl)amino]methyl]benzamide is CC(C)(C)S(=O)(=O)c1ccc(NCc2cccc(C(N)=O)c2)cn1.
What is the InChIKey of 3-[[(6-tert-butylsulfonyl-3-pyridinyl)amino]methyl]benzamide?
The InChIKey is GFPINBXPTCIQMH-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H21N3O3S/c1-17(2,3)24(22,23)15-8-7-14(11-20-15)19-10-12-5-4-6-13(9-12)16(18)21/h4-9,11,19H,10H2,1-3H3,(H2,18,21).
What are the key properties of 3-[[(6-tert-butylsulfonyl-3-pyridinyl)amino]methyl]benzamide?
3-[[(6-tert-butylsulfonyl-3-pyridinyl)amino]methyl]benzamide has a molecular weight of 347.44 g/mol, XLogP of 2.36, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[[(6-tert-butylsulfonyl-3-pyridinyl)amino]methyl]benzamide is sourced from PubChem (CID 133373609), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).