N-[[4-[(3-cyclopropyl-1,2,4-triazol-1-yl)sulfonyl]phenyl]methyl]propanamide

C15H18N4O3S — CID 170537994

IUPACN-[[4-[(3-cyclopropyl-1,2,4-triazol-1-yl)sulfonyl]phenyl]methyl]propanamide
SMILESCCC(=O)NCc1ccc(S(=O)(=O)n2cnc(C3CC3)n2)cc1
InChIInChI=1S/C15H18N4O3S/c1-2-14(20)16-9-11-3-7-13(8-4-11)23(21,22)19-10-17-15(18-19)12-5-6-12/h3-4,7-8,10,12H,2,5-6,9H2,1H3,(H,16,20)
InChIKeyDQLYTCOTHSKLRQ-UHFFFAOYSA-N
MW334.40 g/mol
LogP1.42
Rot. Bonds6

About N-[[4-[(3-cyclopropyl-1,2,4-triazol-1-yl)sulfonyl]phenyl]methyl]propanamide

N-[[4-[(3-cyclopropyl-1,2,4-triazol-1-yl)sulfonyl]phenyl]methyl]propanamide (PubChem CID 170537994) has the molecular formula C15H18N4O3S and a molecular weight of 334.40 g/mol. Its IUPAC name is N-[[4-[(3-cyclopropyl-1,2,4-triazol-1-yl)sulfonyl]phenyl]methyl]propanamide.

Molecular Properties

Compound NameN-[[4-[(3-cyclopropyl-1,2,4-triazol-1-yl)sulfonyl]phenyl]methyl]propanamide
PubChem CID170537994
Molecular FormulaC15H18N4O3S
Molecular Weight334.40 g/mol
Exact Mass334.11
IUPAC NameN-[[4-[(3-cyclopropyl-1,2,4-triazol-1-yl)sulfonyl]phenyl]methyl]propanamide
SMILESCCC(=O)NCc1ccc(S(=O)(=O)n2cnc(C3CC3)n2)cc1
InChIInChI=1S/C15H18N4O3S/c1-2-14(20)16-9-11-3-7-13(8-4-11)23(21,22)19-10-17-15(18-19)12-5-6-12/h3-4,7-8,10,12H,2,5-6,9H2,1H3,(H,16,20)
InChIKeyDQLYTCOTHSKLRQ-UHFFFAOYSA-N
XLogP1.42
TPSA93.95 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500334.40
LogP ≤ 51.42
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze N-[[4-[(3-cyclopropyl-1,2,4-triazol-1-yl)sulfonyl]phenyl]methyl]propanamide with MolForge

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Related Compounds

4-[(3-cyclopropyl-1,2,4-triazol-1-yl)sulfonyl]-N-prop-2-ynylbenzamide
CID 166076143
N-[2-oxo-2-[(4-piperidin-1-ylsulfonylphenyl)methylamino]ethyl]cyclopropanecarboxamide
CID 55634285
4-[(butanoylamino)methyl]benzenesulfonyl chloride
CID 24688623
N-[(4-ethoxyphenyl)methyl]-2-[1-(4-methylphenyl)sulfonylpiperidin-4-yl]acetamide
CID 50767947
8-[[4-[(3-cyclopropyl-1,2,4-triazol-1-yl)sulfonyl]phenyl]methyl]-2-[(1-methylsulfonylpiperidin-4-yl)amino]-7H-pyrido[2,3-d]pyrimidin-7-ol
CID 164925539
2-cyclopentyl-N-[(4-piperidin-1-ylsulfonylphenyl)methyl]acetamide
CID 51197507
N-[(4-acetylphenyl)methyl]propanamide
CID 20825268
N-[[4-(diethylsulfamoyl)phenyl]methyl]-2-(4-methylpiperidin-1-yl)acetamide
CID 8558337
1-(4-ethylphenyl)sulfonyl-N-(pyridin-4-ylmethyl)piperidine-4-carboxamide
CID 113004556
N-[4-oxo-4-[(4-piperidin-1-ylsulfonylphenyl)methylamino]butyl]cyclopropanecarboxamide
CID 46483108
N-[[4-(ethylamino)phenyl]methyl]propanamide
CID 59197954
(3R)-1-ethylsulfonyl-N-[(4-pyrrolidin-1-ylsulfonylphenyl)methyl]piperidine-3-carboxamide
CID 28562311

Frequently Asked Questions

What is the IUPAC name of N-[[4-[(3-cyclopropyl-1,2,4-triazol-1-yl)sulfonyl]phenyl]methyl]propanamide?
The IUPAC name of N-[[4-[(3-cyclopropyl-1,2,4-triazol-1-yl)sulfonyl]phenyl]methyl]propanamide (CID 170537994) is N-[[4-[(3-cyclopropyl-1,2,4-triazol-1-yl)sulfonyl]phenyl]methyl]propanamide.
What is the SMILES notation for N-[[4-[(3-cyclopropyl-1,2,4-triazol-1-yl)sulfonyl]phenyl]methyl]propanamide?
The canonical SMILES for N-[[4-[(3-cyclopropyl-1,2,4-triazol-1-yl)sulfonyl]phenyl]methyl]propanamide is CCC(=O)NCc1ccc(S(=O)(=O)n2cnc(C3CC3)n2)cc1.
What is the InChIKey of N-[[4-[(3-cyclopropyl-1,2,4-triazol-1-yl)sulfonyl]phenyl]methyl]propanamide?
The InChIKey is DQLYTCOTHSKLRQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H18N4O3S/c1-2-14(20)16-9-11-3-7-13(8-4-11)23(21,22)19-10-17-15(18-19)12-5-6-12/h3-4,7-8,10,12H,2,5-6,9H2,1H3,(H,16,20).
What are the key properties of N-[[4-[(3-cyclopropyl-1,2,4-triazol-1-yl)sulfonyl]phenyl]methyl]propanamide?
N-[[4-[(3-cyclopropyl-1,2,4-triazol-1-yl)sulfonyl]phenyl]methyl]propanamide has a molecular weight of 334.40 g/mol, XLogP of 1.42, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[4-[(3-cyclopropyl-1,2,4-triazol-1-yl)sulfonyl]phenyl]methyl]propanamide is sourced from PubChem (CID 170537994), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).