2-methyl-5-(4-methylsulfonylpiperazin-1-yl)-N-(1-naphthalen-1-ylcyclopropyl)benzamide

C26H29N3O3S — CID 174194885

IUPAC2-methyl-5-(4-methylsulfonylpiperazin-1-yl)-N-(1-naphthalen-1-ylcyclopropyl)benzamide
SMILESCc1ccc(N2CCN(S(C)(=O)=O)CC2)cc1C(=O)NC1(c2cccc3ccccc23)CC1
InChIInChI=1S/C26H29N3O3S/c1-19-10-11-21(28-14-16-29(17-15-28)33(2,31)32)18-23(19)25(30)27-26(12-13-26)24-9-5-7-20-6-3-4-8-22(20)24/h3-11,18H,12-17H2,1-2H3,(H,27,30)
InChIKeyOZGCQJVJCALQHC-UHFFFAOYSA-N
MW463.60 g/mol
LogP3.65
Rot. Bonds5

About 2-methyl-5-(4-methylsulfonylpiperazin-1-yl)-N-(1-naphthalen-1-ylcyclopropyl)benzamide

2-methyl-5-(4-methylsulfonylpiperazin-1-yl)-N-(1-naphthalen-1-ylcyclopropyl)benzamide (PubChem CID 174194885) has the molecular formula C26H29N3O3S and a molecular weight of 463.60 g/mol. Its IUPAC name is 2-methyl-5-(4-methylsulfonylpiperazin-1-yl)-N-(1-naphthalen-1-ylcyclopropyl)benzamide.

Molecular Properties

Compound Name2-methyl-5-(4-methylsulfonylpiperazin-1-yl)-N-(1-naphthalen-1-ylcyclopropyl)benzamide
PubChem CID174194885
Molecular FormulaC26H29N3O3S
Molecular Weight463.60 g/mol
Exact Mass463.19
IUPAC Name2-methyl-5-(4-methylsulfonylpiperazin-1-yl)-N-(1-naphthalen-1-ylcyclopropyl)benzamide
SMILESCc1ccc(N2CCN(S(C)(=O)=O)CC2)cc1C(=O)NC1(c2cccc3ccccc23)CC1
InChIInChI=1S/C26H29N3O3S/c1-19-10-11-21(28-14-16-29(17-15-28)33(2,31)32)18-23(19)25(30)27-26(12-13-26)24-9-5-7-20-6-3-4-8-22(20)24/h3-11,18H,12-17H2,1-2H3,(H,27,30)
InChIKeyOZGCQJVJCALQHC-UHFFFAOYSA-N
XLogP3.65
TPSA69.72 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500463.60
LogP ≤ 53.65
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

5-(3,6-diazabicyclo[3.1.1]heptan-3-yl)-2-methyl-N-(1-naphthalen-1-ylcyclopropyl)benzamide
CID 174194684
5-(3-aminoanilino)-2-methyl-N-(1-naphthalen-1-ylcyclopropyl)benzamide
CID 174193130
2-methyl-N-(1-naphthalen-1-ylcyclopropyl)-5-piperazin-1-ylpyridine-3-carboxamide
CID 174194574
5-(3-acetamidoanilino)-2-methyl-N-(1-naphthalen-1-ylcyclopropyl)benzamide
CID 174193131
2-methyl-5-(4-methyl-1,4-diazepan-1-yl)-N-(1-quinolin-4-ylcyclopropyl)benzamide
CID 176905271
5-[3-(dimethylamino)azetidin-1-yl]-2-methyl-N-[1-(4-methylsulfonylnaphthalen-1-yl)cyclopropyl]benzamide
CID 177269122
5-[3-(dimethylamino)azetidin-1-yl]-2-methyl-N-[1-[5-(methylamino)naphthalen-1-yl]cyclopropyl]benzamide
CID 177269051
N-[4-(4-methylsulfonylpiperazin-1-yl)phenyl]naphthalene-1-carboxamide
CID 1048483
5-[3-(dimethylamino)azetidin-1-yl]-N-[1-(5-fluoronaphthalen-1-yl)cyclopropyl]-2-methylbenzamide
CID 177268956
5-[4-(2-hydroxyethyl)piperazin-1-yl]-2-methyl-N-[1-(1-methyl-2-oxobenzo[cd]indol-6-yl)cyclopropyl]benzamide
CID 171477032
5-[3-(dimethylamino)azetidin-1-yl]-2-methyl-N-[1-[4-(methylamino)naphthalen-1-yl]cyclopropyl]benzamide
CID 177269126
2-methyl-5-(2-methyl-1,3,3a,4,6,6a-hexahydropyrrolo[3,4-c]pyrrol-5-yl)-N-(1-quinolin-4-ylcyclopropyl)benzamide
CID 177269118

Frequently Asked Questions

What is the IUPAC name of 2-methyl-5-(4-methylsulfonylpiperazin-1-yl)-N-(1-naphthalen-1-ylcyclopropyl)benzamide?
The IUPAC name of 2-methyl-5-(4-methylsulfonylpiperazin-1-yl)-N-(1-naphthalen-1-ylcyclopropyl)benzamide (CID 174194885) is 2-methyl-5-(4-methylsulfonylpiperazin-1-yl)-N-(1-naphthalen-1-ylcyclopropyl)benzamide.
What is the SMILES notation for 2-methyl-5-(4-methylsulfonylpiperazin-1-yl)-N-(1-naphthalen-1-ylcyclopropyl)benzamide?
The canonical SMILES for 2-methyl-5-(4-methylsulfonylpiperazin-1-yl)-N-(1-naphthalen-1-ylcyclopropyl)benzamide is Cc1ccc(N2CCN(S(C)(=O)=O)CC2)cc1C(=O)NC1(c2cccc3ccccc23)CC1.
What is the InChIKey of 2-methyl-5-(4-methylsulfonylpiperazin-1-yl)-N-(1-naphthalen-1-ylcyclopropyl)benzamide?
The InChIKey is OZGCQJVJCALQHC-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H29N3O3S/c1-19-10-11-21(28-14-16-29(17-15-28)33(2,31)32)18-23(19)25(30)27-26(12-13-26)24-9-5-7-20-6-3-4-8-22(20)24/h3-11,18H,12-17H2,1-2H3,(H,27,30).
What are the key properties of 2-methyl-5-(4-methylsulfonylpiperazin-1-yl)-N-(1-naphthalen-1-ylcyclopropyl)benzamide?
2-methyl-5-(4-methylsulfonylpiperazin-1-yl)-N-(1-naphthalen-1-ylcyclopropyl)benzamide has a molecular weight of 463.60 g/mol, XLogP of 3.65, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-5-(4-methylsulfonylpiperazin-1-yl)-N-(1-naphthalen-1-ylcyclopropyl)benzamide is sourced from PubChem (CID 174194885), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).