N-(4-methyl-2-pyridinyl)-4-propan-2-ylsulfonylbenzamide

C16H18N2O3S — CID 46489941

IUPACN-(4-methyl-2-pyridinyl)-4-propan-2-ylsulfonylbenzamide
SMILESCc1ccnc(NC(=O)c2ccc(S(=O)(=O)C(C)C)cc2)c1
InChIInChI=1S/C16H18N2O3S/c1-11(2)22(20,21)14-6-4-13(5-7-14)16(19)18-15-10-12(3)8-9-17-15/h4-11H,1-3H3,(H,17,18,19)
InChIKeyKPTWHDQHPQYBBW-UHFFFAOYSA-N
MW318.40 g/mol
LogP2.82
Rot. Bonds4

About N-(4-methyl-2-pyridinyl)-4-propan-2-ylsulfonylbenzamide

N-(4-methyl-2-pyridinyl)-4-propan-2-ylsulfonylbenzamide (PubChem CID 46489941) has the molecular formula C16H18N2O3S and a molecular weight of 318.40 g/mol. Its IUPAC name is N-(4-methyl-2-pyridinyl)-4-propan-2-ylsulfonylbenzamide.

Molecular Properties

Compound NameN-(4-methyl-2-pyridinyl)-4-propan-2-ylsulfonylbenzamide
PubChem CID46489941
Molecular FormulaC16H18N2O3S
Molecular Weight318.40 g/mol
Exact Mass318.10
IUPAC NameN-(4-methyl-2-pyridinyl)-4-propan-2-ylsulfonylbenzamide
SMILESCc1ccnc(NC(=O)c2ccc(S(=O)(=O)C(C)C)cc2)c1
InChIInChI=1S/C16H18N2O3S/c1-11(2)22(20,21)14-6-4-13(5-7-14)16(19)18-15-10-12(3)8-9-17-15/h4-11H,1-3H3,(H,17,18,19)
InChIKeyKPTWHDQHPQYBBW-UHFFFAOYSA-N
XLogP2.82
TPSA76.13 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500318.40
LogP ≤ 52.82
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

4-iodo-N-(4-methyl-2-pyridinyl)benzamide
CID 21204751
4-(azepan-1-ylsulfonyl)-N-(4-methyl-2-pyridinyl)benzamide
CID 2147569
N-(4-methyl-2-pyridinyl)-4-(prop-2-ynylsulfamoyl)benzamide
CID 51298176
N-(4-methylphenyl)-4-propan-2-ylsulfonylbenzamide
CID 41148675
4-benzamido-N-(4-methyl-2-pyridinyl)benzamide
CID 17153203
3,5-dibromo-N-(4-methyl-2-pyridinyl)benzamide
CID 113349571
N-[(2S)-1-[(4-methyl-2-pyridinyl)amino]-1-oxopropan-2-yl]benzamide
CID 41083862
4-amino-3-hydroxy-N-(4-methyl-2-pyridinyl)benzamide
CID 107073933
2-methoxy-N-(4-methyl-2-pyridinyl)propanamide
CID 170104902
N-phenyl-4-propan-2-ylsulfonylbenzamide
CID 41148668
2-(methylamino)-N-(4-methyl-2-pyridinyl)propanamide
CID 62639101
3,4,5-triethoxy-N-(4-methyl-2-pyridinyl)benzamide
CID 649583

Frequently Asked Questions

What is the IUPAC name of N-(4-methyl-2-pyridinyl)-4-propan-2-ylsulfonylbenzamide?
The IUPAC name of N-(4-methyl-2-pyridinyl)-4-propan-2-ylsulfonylbenzamide (CID 46489941) is N-(4-methyl-2-pyridinyl)-4-propan-2-ylsulfonylbenzamide.
What is the SMILES notation for N-(4-methyl-2-pyridinyl)-4-propan-2-ylsulfonylbenzamide?
The canonical SMILES for N-(4-methyl-2-pyridinyl)-4-propan-2-ylsulfonylbenzamide is Cc1ccnc(NC(=O)c2ccc(S(=O)(=O)C(C)C)cc2)c1.
What is the InChIKey of N-(4-methyl-2-pyridinyl)-4-propan-2-ylsulfonylbenzamide?
The InChIKey is KPTWHDQHPQYBBW-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H18N2O3S/c1-11(2)22(20,21)14-6-4-13(5-7-14)16(19)18-15-10-12(3)8-9-17-15/h4-11H,1-3H3,(H,17,18,19).
What are the key properties of N-(4-methyl-2-pyridinyl)-4-propan-2-ylsulfonylbenzamide?
N-(4-methyl-2-pyridinyl)-4-propan-2-ylsulfonylbenzamide has a molecular weight of 318.40 g/mol, XLogP of 2.82, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-methyl-2-pyridinyl)-4-propan-2-ylsulfonylbenzamide is sourced from PubChem (CID 46489941), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).