N-(cyclopropylmethyl)-2-methylsulfonyl-N-[1-(2-pyrimidin-2-yl-1,2,4-triazol-3-yl)ethyl]benzamide

C20H22N6O3S — CID 155676492

IUPACN-(cyclopropylmethyl)-2-methylsulfonyl-N-[1-(2-pyrimidin-2-yl-1,2,4-triazol-3-yl)ethyl]benzamide
SMILESCC(c1ncnn1-c1ncccn1)N(CC1CC1)C(=O)c1ccccc1S(C)(=O)=O
InChIInChI=1S/C20H22N6O3S/c1-14(18-23-13-24-26(18)20-21-10-5-11-22-20)25(12-15-8-9-15)19(27)16-6-3-4-7-17(16)30(2,28)29/h3-7,10-11,13-15H,8-9,12H2,1-2H3
InChIKeyCFSABBYHBMVWGE-UHFFFAOYSA-N
MW426.50 g/mol
LogP2.07
Rot. Bonds7

About N-(cyclopropylmethyl)-2-methylsulfonyl-N-[1-(2-pyrimidin-2-yl-1,2,4-triazol-3-yl)ethyl]benzamide

N-(cyclopropylmethyl)-2-methylsulfonyl-N-[1-(2-pyrimidin-2-yl-1,2,4-triazol-3-yl)ethyl]benzamide (PubChem CID 155676492) has the molecular formula C20H22N6O3S and a molecular weight of 426.50 g/mol. Its IUPAC name is N-(cyclopropylmethyl)-2-methylsulfonyl-N-[1-(2-pyrimidin-2-yl-1,2,4-triazol-3-yl)ethyl]benzamide.

Molecular Properties

Compound NameN-(cyclopropylmethyl)-2-methylsulfonyl-N-[1-(2-pyrimidin-2-yl-1,2,4-triazol-3-yl)ethyl]benzamide
PubChem CID155676492
Molecular FormulaC20H22N6O3S
Molecular Weight426.50 g/mol
Exact Mass426.15
IUPAC NameN-(cyclopropylmethyl)-2-methylsulfonyl-N-[1-(2-pyrimidin-2-yl-1,2,4-triazol-3-yl)ethyl]benzamide
SMILESCC(c1ncnn1-c1ncccn1)N(CC1CC1)C(=O)c1ccccc1S(C)(=O)=O
InChIInChI=1S/C20H22N6O3S/c1-14(18-23-13-24-26(18)20-21-10-5-11-22-20)25(12-15-8-9-15)19(27)16-6-3-4-7-17(16)30(2,28)29/h3-7,10-11,13-15H,8-9,12H2,1-2H3
InChIKeyCFSABBYHBMVWGE-UHFFFAOYSA-N
XLogP2.07
TPSA110.94 Ų
H-Bond Donors
H-Bond Acceptors8
Rotatable Bonds7
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500426.50
LogP ≤ 52.07
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 108

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Related Compounds

3,4,5-trichloro-N-(cyclopropylmethyl)-N-[1-(2-pyrimidin-2-yl-1,2,4-triazol-3-yl)ethyl]thiophene-2-carboxamide
CID 146189771
N-(cyclopropylmethyl)-2-methyl-N-[1-(2-pyrimidin-2-yl-1,2,4-triazol-3-yl)ethyl]-6-(trifluoromethyl)pyridine-4-carboxamide
CID 135195110
N-(cyclopropylmethyl)-N-[1-(2-pyrimidin-2-yl-1,2,4-triazol-3-yl)ethyl]-3-[2-(trifluoromethyl)cyclopropyl]benzamide
CID 146289542
3-chloro-N-(cyclopropylmethyl)-N-[1-(2-pyrimidin-2-yl-1,2,4-triazol-3-yl)ethyl]-5-(trifluoromethylsulfanyl)benzamide
CID 139466728
N-(cyclopropylmethyl)-N-[1-(2-pyrimidin-2-yl-1,2,4-triazol-3-yl)ethyl]-3-(1,1,2,2-tetrafluoroethoxy)-5-(trifluoromethyl)benzamide
CID 156700711
N-(cyclopropylmethyl)-3-[1-methyl-2-(trifluoromethyl)cyclopropyl]-N-[1-(2-pyrimidin-2-yl-1,2,4-triazol-3-yl)ethyl]-5-(trifluoromethyl)benzamide
CID 161151358
2-[3-chloro-5-(trifluoromethyl)phenyl]-N-(cyclopropylmethyl)-N-[1-(2-pyrimidin-2-yl-1,2,4-triazol-3-yl)ethyl]acetamide
CID 146189928
3-[ethyl-[1-(2-pyrimidin-2-yl-1,2,4-triazol-3-yl)ethyl]carbamoyl]-2,5-bis(trifluoromethyl)benzenesulfonic acid
CID 172561318
N-(cyclopropylmethyl)-3-hydroxy-2-methyl-N-propan-2-ylbenzamide
CID 82829027
5-chloro-N-(cyclopropylmethyl)-N-[1-[2-(4,5-dihydropyrimidin-2-yl)-1,2,4-triazol-3-yl]ethyl]-1-methylpyrazole-4-carboxamide
CID 166817376
3-chloro-N-(cyclopropylmethyl)-N-[1-[2-(5-fluoropyrimidin-2-yl)-1,2,4-triazol-3-yl]ethyl]-5-(trifluoromethyl)benzamide
CID 155434470
3-chloro-N-(pyridin-2-ylmethyl)-N-[1-(2-pyrimidin-2-yl-1,2,4-triazol-3-yl)ethyl]-5-(trifluoromethyl)benzamide
CID 146197535

Frequently Asked Questions

What is the IUPAC name of N-(cyclopropylmethyl)-2-methylsulfonyl-N-[1-(2-pyrimidin-2-yl-1,2,4-triazol-3-yl)ethyl]benzamide?
The IUPAC name of N-(cyclopropylmethyl)-2-methylsulfonyl-N-[1-(2-pyrimidin-2-yl-1,2,4-triazol-3-yl)ethyl]benzamide (CID 155676492) is N-(cyclopropylmethyl)-2-methylsulfonyl-N-[1-(2-pyrimidin-2-yl-1,2,4-triazol-3-yl)ethyl]benzamide.
What is the SMILES notation for N-(cyclopropylmethyl)-2-methylsulfonyl-N-[1-(2-pyrimidin-2-yl-1,2,4-triazol-3-yl)ethyl]benzamide?
The canonical SMILES for N-(cyclopropylmethyl)-2-methylsulfonyl-N-[1-(2-pyrimidin-2-yl-1,2,4-triazol-3-yl)ethyl]benzamide is CC(c1ncnn1-c1ncccn1)N(CC1CC1)C(=O)c1ccccc1S(C)(=O)=O.
What is the InChIKey of N-(cyclopropylmethyl)-2-methylsulfonyl-N-[1-(2-pyrimidin-2-yl-1,2,4-triazol-3-yl)ethyl]benzamide?
The InChIKey is CFSABBYHBMVWGE-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H22N6O3S/c1-14(18-23-13-24-26(18)20-21-10-5-11-22-20)25(12-15-8-9-15)19(27)16-6-3-4-7-17(16)30(2,28)29/h3-7,10-11,13-15H,8-9,12H2,1-2H3.
What are the key properties of N-(cyclopropylmethyl)-2-methylsulfonyl-N-[1-(2-pyrimidin-2-yl-1,2,4-triazol-3-yl)ethyl]benzamide?
N-(cyclopropylmethyl)-2-methylsulfonyl-N-[1-(2-pyrimidin-2-yl-1,2,4-triazol-3-yl)ethyl]benzamide has a molecular weight of 426.50 g/mol, XLogP of 2.07, 7 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for N-(cyclopropylmethyl)-2-methylsulfonyl-N-[1-(2-pyrimidin-2-yl-1,2,4-triazol-3-yl)ethyl]benzamide is sourced from PubChem (CID 155676492), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).