N-(cyclopropylmethyl)-3-[1-(thian-4-yl)azetidin-3-yl]oxybenzamide

C19H26N2O2S — CID 91919031

IUPACN-(cyclopropylmethyl)-3-[1-(thian-4-yl)azetidin-3-yl]oxybenzamide
SMILESO=C(NCC1CC1)c1cccc(OC2CN(C3CCSCC3)C2)c1
InChIInChI=1S/C19H26N2O2S/c22-19(20-11-14-4-5-14)15-2-1-3-17(10-15)23-18-12-21(13-18)16-6-8-24-9-7-16/h1-3,10,14,16,18H,4-9,11-13H2,(H,20,22)
InChIKeyYKBJEENEUVFJHD-UHFFFAOYSA-N
MW346.50 g/mol
LogP2.79
Rot. Bonds6

About N-(cyclopropylmethyl)-3-[1-(thian-4-yl)azetidin-3-yl]oxybenzamide

N-(cyclopropylmethyl)-3-[1-(thian-4-yl)azetidin-3-yl]oxybenzamide (PubChem CID 91919031) has the molecular formula C19H26N2O2S and a molecular weight of 346.50 g/mol. Its IUPAC name is N-(cyclopropylmethyl)-3-[1-(thian-4-yl)azetidin-3-yl]oxybenzamide.

Molecular Properties

Compound NameN-(cyclopropylmethyl)-3-[1-(thian-4-yl)azetidin-3-yl]oxybenzamide
PubChem CID91919031
Molecular FormulaC19H26N2O2S
Molecular Weight346.50 g/mol
Exact Mass346.17
IUPAC NameN-(cyclopropylmethyl)-3-[1-(thian-4-yl)azetidin-3-yl]oxybenzamide
SMILESO=C(NCC1CC1)c1cccc(OC2CN(C3CCSCC3)C2)c1
InChIInChI=1S/C19H26N2O2S/c22-19(20-11-14-4-5-14)15-2-1-3-17(10-15)23-18-12-21(13-18)16-6-8-24-9-7-16/h1-3,10,14,16,18H,4-9,11-13H2,(H,20,22)
InChIKeyYKBJEENEUVFJHD-UHFFFAOYSA-N
XLogP2.79
TPSA41.57 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500346.50
LogP ≤ 52.79
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-(cyclopropylmethyl)-3-[1-(1,3-thiazol-5-ylmethyl)azetidin-3-yl]oxybenzamide
CID 91919009
N-[[1-(thian-4-yl)piperidin-4-yl]methyl]-3-(trifluoromethyl)benzamide
CID 91814223
3-bromo-N-(thian-4-ylmethyl)benzamide
CID 115625137
N-(cyclopropylmethyl)-3-[1-(dimethylsulfamoyl)piperidin-4-yl]oxybenzamide
CID 72853080
3,5-dimethoxy-N-[[1-(thian-4-yl)piperidin-3-yl]methyl]benzamide
CID 45252489
N-[2-(cyclopropylmethylamino)-2-oxoethyl]-3-(difluoromethoxy)benzamide
CID 24667103
4-chloro-N-[[1-(thian-4-yl)piperidin-4-yl]methyl]benzamide
CID 146078077
3-(dimethylamino)-N-[[1-[(3S)-thiolan-3-yl]piperidin-4-yl]methyl]benzamide
CID 100681580
3-amino-N-(cyclobutylmethyl)benzamide
CID 43298160
6-bromo-N-(thian-4-ylmethyl)naphthalene-2-carboxamide
CID 115749078
N-[(1-acetylpiperidin-4-yl)methyl]-3-methoxybenzamide
CID 110736146
3-methoxy-N-[[1-(3-methoxybenzoyl)piperidin-4-yl]methyl]benzamide
CID 17385439

Frequently Asked Questions

What is the IUPAC name of N-(cyclopropylmethyl)-3-[1-(thian-4-yl)azetidin-3-yl]oxybenzamide?
The IUPAC name of N-(cyclopropylmethyl)-3-[1-(thian-4-yl)azetidin-3-yl]oxybenzamide (CID 91919031) is N-(cyclopropylmethyl)-3-[1-(thian-4-yl)azetidin-3-yl]oxybenzamide.
What is the SMILES notation for N-(cyclopropylmethyl)-3-[1-(thian-4-yl)azetidin-3-yl]oxybenzamide?
The canonical SMILES for N-(cyclopropylmethyl)-3-[1-(thian-4-yl)azetidin-3-yl]oxybenzamide is O=C(NCC1CC1)c1cccc(OC2CN(C3CCSCC3)C2)c1.
What is the InChIKey of N-(cyclopropylmethyl)-3-[1-(thian-4-yl)azetidin-3-yl]oxybenzamide?
The InChIKey is YKBJEENEUVFJHD-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H26N2O2S/c22-19(20-11-14-4-5-14)15-2-1-3-17(10-15)23-18-12-21(13-18)16-6-8-24-9-7-16/h1-3,10,14,16,18H,4-9,11-13H2,(H,20,22).
What are the key properties of N-(cyclopropylmethyl)-3-[1-(thian-4-yl)azetidin-3-yl]oxybenzamide?
N-(cyclopropylmethyl)-3-[1-(thian-4-yl)azetidin-3-yl]oxybenzamide has a molecular weight of 346.50 g/mol, XLogP of 2.79, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(cyclopropylmethyl)-3-[1-(thian-4-yl)azetidin-3-yl]oxybenzamide is sourced from PubChem (CID 91919031), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).