(3S)-4-methyl-3-phenyl-N-pyrazin-2-ylsulfonylpentanamide

C16H19N3O3S — CID 99696732

IUPAC(3S)-4-methyl-3-phenyl-N-pyrazin-2-ylsulfonylpentanamide
SMILESCC(C)[C@H](CC(=O)NS(=O)(=O)c1cnccn1)c1ccccc1
InChIInChI=1S/C16H19N3O3S/c1-12(2)14(13-6-4-3-5-7-13)10-15(20)19-23(21,22)16-11-17-8-9-18-16/h3-9,11-12,14H,10H2,1-2H3,(H,19,20)/t14-/m0/s1
InChIKeyBXODHHFKJQEWSO-AWEZNQCLSA-N
MW333.41 g/mol
LogP2.11
Rot. Bonds6

About (3S)-4-methyl-3-phenyl-N-pyrazin-2-ylsulfonylpentanamide

(3S)-4-methyl-3-phenyl-N-pyrazin-2-ylsulfonylpentanamide (PubChem CID 99696732) has the molecular formula C16H19N3O3S and a molecular weight of 333.41 g/mol. Its IUPAC name is (3S)-4-methyl-3-phenyl-N-pyrazin-2-ylsulfonylpentanamide.

Molecular Properties

Compound Name(3S)-4-methyl-3-phenyl-N-pyrazin-2-ylsulfonylpentanamide
PubChem CID99696732
Molecular FormulaC16H19N3O3S
Molecular Weight333.41 g/mol
Exact Mass333.11
IUPAC Name(3S)-4-methyl-3-phenyl-N-pyrazin-2-ylsulfonylpentanamide
SMILESCC(C)[C@H](CC(=O)NS(=O)(=O)c1cnccn1)c1ccccc1
InChIInChI=1S/C16H19N3O3S/c1-12(2)14(13-6-4-3-5-7-13)10-15(20)19-23(21,22)16-11-17-8-9-18-16/h3-9,11-12,14H,10H2,1-2H3,(H,19,20)/t14-/m0/s1
InChIKeyBXODHHFKJQEWSO-AWEZNQCLSA-N
XLogP2.11
TPSA89.02 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500333.41
LogP ≤ 52.11
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-pyrazin-2-ylsulfonyl-2-[3-(trifluoromethyl)phenyl]cyclopropane-1-carboxamide
CID 86813378
3-fluoro-N-pyrazin-2-ylsulfonylbenzamide
CID 91644480
1-(4-fluorophenyl)-N-pyrazin-2-ylsulfonylcyclopropane-1-carboxamide
CID 91644485
4-(3,4-difluorophenyl)-N-pyrazin-2-ylsulfonylbutanamide
CID 91644486
2-(2,6-difluorophenyl)-N-pyrazin-2-ylsulfonylcyclopropane-1-carboxamide
CID 91644494
2-(2,6-difluorophenyl)-N-pyrazin-2-ylsulfonylpropanamide
CID 91646610
(Z)-3-(4-fluorophenyl)-N-pyrazin-2-ylsulfonylbut-2-enamide
CID 99696585
cis-(1S,2R)-N-pyrazin-2-ylsulfonyl-2-[3-(trifluoromethyl)phenyl]cyclopropane-1-carboxamide
CID 99696587
trans-(1S,2S)-N-pyrazin-2-ylsulfonyl-2-[3-(trifluoromethyl)phenyl]cyclopropane-1-carboxamide
CID 99696588
trans-(1R,2R)-N-pyrazin-2-ylsulfonyl-2-[3-(trifluoromethyl)phenyl]cyclopropane-1-carboxamide
CID 99696589
cis-(1R,2S)-N-pyrazin-2-ylsulfonyl-2-[3-(trifluoromethyl)phenyl]cyclopropane-1-carboxamide
CID 99696590
2-(2-fluorophenyl)-N-pyrazin-2-ylsulfonylacetamide
CID 99696680

Frequently Asked Questions

What is the IUPAC name of (3S)-4-methyl-3-phenyl-N-pyrazin-2-ylsulfonylpentanamide?
The IUPAC name of (3S)-4-methyl-3-phenyl-N-pyrazin-2-ylsulfonylpentanamide (CID 99696732) is (3S)-4-methyl-3-phenyl-N-pyrazin-2-ylsulfonylpentanamide.
What is the SMILES notation for (3S)-4-methyl-3-phenyl-N-pyrazin-2-ylsulfonylpentanamide?
The canonical SMILES for (3S)-4-methyl-3-phenyl-N-pyrazin-2-ylsulfonylpentanamide is CC(C)[C@H](CC(=O)NS(=O)(=O)c1cnccn1)c1ccccc1.
What is the InChIKey of (3S)-4-methyl-3-phenyl-N-pyrazin-2-ylsulfonylpentanamide?
The InChIKey is BXODHHFKJQEWSO-AWEZNQCLSA-N. The full InChI is InChI=1S/C16H19N3O3S/c1-12(2)14(13-6-4-3-5-7-13)10-15(20)19-23(21,22)16-11-17-8-9-18-16/h3-9,11-12,14H,10H2,1-2H3,(H,19,20)/t14-/m0/s1.
What are the key properties of (3S)-4-methyl-3-phenyl-N-pyrazin-2-ylsulfonylpentanamide?
(3S)-4-methyl-3-phenyl-N-pyrazin-2-ylsulfonylpentanamide has a molecular weight of 333.41 g/mol, XLogP of 2.11, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (3S)-4-methyl-3-phenyl-N-pyrazin-2-ylsulfonylpentanamide is sourced from PubChem (CID 99696732), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).