N-(cyclopropylmethyl)-4-(2-methylsulfonylphenyl)-N-(oxolan-2-ylmethyl)benzamide

C23H27NO4S — CID 44572046

IUPACN-(cyclopropylmethyl)-4-(2-methylsulfonylphenyl)-N-(oxolan-2-ylmethyl)benzamide
SMILESCS(=O)(=O)c1ccccc1-c1ccc(C(=O)N(CC2CC2)CC2CCCO2)cc1
InChIInChI=1S/C23H27NO4S/c1-29(26,27)22-7-3-2-6-21(22)18-10-12-19(13-11-18)23(25)24(15-17-8-9-17)16-20-5-4-14-28-20/h2-3,6-7,10-13,17,20H,4-5,8-9,14-16H2,1H3
InChIKeyBRUMRVHYUJSDAO-UHFFFAOYSA-N
MW413.54 g/mol
LogP3.79
Rot. Bonds7

About N-(cyclopropylmethyl)-4-(2-methylsulfonylphenyl)-N-(oxolan-2-ylmethyl)benzamide

N-(cyclopropylmethyl)-4-(2-methylsulfonylphenyl)-N-(oxolan-2-ylmethyl)benzamide (PubChem CID 44572046) has the molecular formula C23H27NO4S and a molecular weight of 413.54 g/mol. Its IUPAC name is N-(cyclopropylmethyl)-4-(2-methylsulfonylphenyl)-N-(oxolan-2-ylmethyl)benzamide.

Molecular Properties

Compound NameN-(cyclopropylmethyl)-4-(2-methylsulfonylphenyl)-N-(oxolan-2-ylmethyl)benzamide
PubChem CID44572046
Molecular FormulaC23H27NO4S
Molecular Weight413.54 g/mol
Exact Mass413.17
IUPAC NameN-(cyclopropylmethyl)-4-(2-methylsulfonylphenyl)-N-(oxolan-2-ylmethyl)benzamide
SMILESCS(=O)(=O)c1ccccc1-c1ccc(C(=O)N(CC2CC2)CC2CCCO2)cc1
InChIInChI=1S/C23H27NO4S/c1-29(26,27)22-7-3-2-6-21(22)18-10-12-19(13-11-18)23(25)24(15-17-8-9-17)16-20-5-4-14-28-20/h2-3,6-7,10-13,17,20H,4-5,8-9,14-16H2,1H3
InChIKeyBRUMRVHYUJSDAO-UHFFFAOYSA-N
XLogP3.79
TPSA63.68 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500413.54
LogP ≤ 53.79
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

N-(cyclopropylmethyl)-N-(tetrahydro-2-furanylmethyl)[1,1'-biphenyl]-4-carboxamide
CID 4017619
9,10,10-trioxo-N-(oxolan-2-ylmethyl)thioxanthene-3-carboxamide
CID 3389416
N-ethyl-2-methylsulfonyl-N-(oxolan-3-ylmethyl)benzamide
CID 51082616
2-(2-cyanophenyl)sulfanyl-N-(1,1-dioxothiolan-3-yl)-N-(oxolan-2-ylmethyl)benzamide
CID 16260450
(2-Ethylsulfonylphenyl)-(2-methylmorpholin-4-yl)methanone
CID 45801516
2-methylsulfonyl-N-(oxolan-2-ylmethyl)benzamide
CID 47019548
(2-Ethoxy-6-azaspiro[3.4]octan-6-yl)-(2-methylsulfonylphenyl)methanone
CID 126800580
(2-methylsulfonylphenyl)-[4-[(3R)-oxolan-3-yl]piperidin-1-yl]methanone
CID 164631340
4-(4-fluoro-2-methylsulfanylphenyl)-N-methyl-2-methylsulfonyl-N-(oxan-4-ylmethyl)benzamide
CID 178289583
N-[1-(4-methylsulfonylphenyl)ethyl]-N-(oxolan-2-ylmethyl)benzamide
CID 3657524
N-benzyl-4-(difluoromethylsulfonyl)-N-(oxolan-2-ylmethyl)benzamide
CID 56038614
3-(benzenesulfonylmethyl)-N-[(3-fluorophenyl)methyl]-N-(oxolan-2-ylmethyl)benzamide
CID 56228960

Frequently Asked Questions

What is the IUPAC name of N-(cyclopropylmethyl)-4-(2-methylsulfonylphenyl)-N-(oxolan-2-ylmethyl)benzamide?
The IUPAC name of N-(cyclopropylmethyl)-4-(2-methylsulfonylphenyl)-N-(oxolan-2-ylmethyl)benzamide (CID 44572046) is N-(cyclopropylmethyl)-4-(2-methylsulfonylphenyl)-N-(oxolan-2-ylmethyl)benzamide.
What is the SMILES notation for N-(cyclopropylmethyl)-4-(2-methylsulfonylphenyl)-N-(oxolan-2-ylmethyl)benzamide?
The canonical SMILES for N-(cyclopropylmethyl)-4-(2-methylsulfonylphenyl)-N-(oxolan-2-ylmethyl)benzamide is CS(=O)(=O)c1ccccc1-c1ccc(C(=O)N(CC2CC2)CC2CCCO2)cc1.
What is the InChIKey of N-(cyclopropylmethyl)-4-(2-methylsulfonylphenyl)-N-(oxolan-2-ylmethyl)benzamide?
The InChIKey is BRUMRVHYUJSDAO-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H27NO4S/c1-29(26,27)22-7-3-2-6-21(22)18-10-12-19(13-11-18)23(25)24(15-17-8-9-17)16-20-5-4-14-28-20/h2-3,6-7,10-13,17,20H,4-5,8-9,14-16H2,1H3.
What are the key properties of N-(cyclopropylmethyl)-4-(2-methylsulfonylphenyl)-N-(oxolan-2-ylmethyl)benzamide?
N-(cyclopropylmethyl)-4-(2-methylsulfonylphenyl)-N-(oxolan-2-ylmethyl)benzamide has a molecular weight of 413.54 g/mol, XLogP of 3.79, 7 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(cyclopropylmethyl)-4-(2-methylsulfonylphenyl)-N-(oxolan-2-ylmethyl)benzamide is sourced from PubChem (CID 44572046), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).