N-(1-phenylcyclobutyl)-2-[(2-propan-2-yl-1,2,4-triazol-3-yl)methylsulfonyl]acetamide

C18H24N4O3S — CID 167775827

IUPACN-(1-phenylcyclobutyl)-2-[(2-propan-2-yl-1,2,4-triazol-3-yl)methylsulfonyl]acetamide
SMILESCC(C)n1ncnc1CS(=O)(=O)CC(=O)NC1(c2ccccc2)CCC1
InChIInChI=1S/C18H24N4O3S/c1-14(2)22-16(19-13-20-22)11-26(24,25)12-17(23)21-18(9-6-10-18)15-7-4-3-5-8-15/h3-5,7-8,13-14H,6,9-12H2,1-2H3,(H,21,23)
InChIKeyZKDOZKRUJCRZPS-UHFFFAOYSA-N
MW376.48 g/mol
LogP1.97
Rot. Bonds7

About N-(1-phenylcyclobutyl)-2-[(2-propan-2-yl-1,2,4-triazol-3-yl)methylsulfonyl]acetamide

N-(1-phenylcyclobutyl)-2-[(2-propan-2-yl-1,2,4-triazol-3-yl)methylsulfonyl]acetamide (PubChem CID 167775827) has the molecular formula C18H24N4O3S and a molecular weight of 376.48 g/mol. Its IUPAC name is N-(1-phenylcyclobutyl)-2-[(2-propan-2-yl-1,2,4-triazol-3-yl)methylsulfonyl]acetamide.

Molecular Properties

Compound NameN-(1-phenylcyclobutyl)-2-[(2-propan-2-yl-1,2,4-triazol-3-yl)methylsulfonyl]acetamide
PubChem CID167775827
Molecular FormulaC18H24N4O3S
Molecular Weight376.48 g/mol
Exact Mass376.16
IUPAC NameN-(1-phenylcyclobutyl)-2-[(2-propan-2-yl-1,2,4-triazol-3-yl)methylsulfonyl]acetamide
SMILESCC(C)n1ncnc1CS(=O)(=O)CC(=O)NC1(c2ccccc2)CCC1
InChIInChI=1S/C18H24N4O3S/c1-14(2)22-16(19-13-20-22)11-26(24,25)12-17(23)21-18(9-6-10-18)15-7-4-3-5-8-15/h3-5,7-8,13-14H,6,9-12H2,1-2H3,(H,21,23)
InChIKeyZKDOZKRUJCRZPS-UHFFFAOYSA-N
XLogP1.97
TPSA93.95 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500376.48
LogP ≤ 51.97
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of N-(1-phenylcyclobutyl)-2-[(2-propan-2-yl-1,2,4-triazol-3-yl)methylsulfonyl]acetamide?
The IUPAC name of N-(1-phenylcyclobutyl)-2-[(2-propan-2-yl-1,2,4-triazol-3-yl)methylsulfonyl]acetamide (CID 167775827) is N-(1-phenylcyclobutyl)-2-[(2-propan-2-yl-1,2,4-triazol-3-yl)methylsulfonyl]acetamide.
What is the SMILES notation for N-(1-phenylcyclobutyl)-2-[(2-propan-2-yl-1,2,4-triazol-3-yl)methylsulfonyl]acetamide?
The canonical SMILES for N-(1-phenylcyclobutyl)-2-[(2-propan-2-yl-1,2,4-triazol-3-yl)methylsulfonyl]acetamide is CC(C)n1ncnc1CS(=O)(=O)CC(=O)NC1(c2ccccc2)CCC1.
What is the InChIKey of N-(1-phenylcyclobutyl)-2-[(2-propan-2-yl-1,2,4-triazol-3-yl)methylsulfonyl]acetamide?
The InChIKey is ZKDOZKRUJCRZPS-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H24N4O3S/c1-14(2)22-16(19-13-20-22)11-26(24,25)12-17(23)21-18(9-6-10-18)15-7-4-3-5-8-15/h3-5,7-8,13-14H,6,9-12H2,1-2H3,(H,21,23).
What are the key properties of N-(1-phenylcyclobutyl)-2-[(2-propan-2-yl-1,2,4-triazol-3-yl)methylsulfonyl]acetamide?
N-(1-phenylcyclobutyl)-2-[(2-propan-2-yl-1,2,4-triazol-3-yl)methylsulfonyl]acetamide has a molecular weight of 376.48 g/mol, XLogP of 1.97, 7 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1-phenylcyclobutyl)-2-[(2-propan-2-yl-1,2,4-triazol-3-yl)methylsulfonyl]acetamide is sourced from PubChem (CID 167775827), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).