2-(1-cyclopropyltetrazol-5-yl)sulfanyl-N-methyl-N-[(2-morpholin-4-ylphenyl)methyl]acetamide

C18H24N6O2S — CID 39681179

IUPAC2-(1-cyclopropyltetrazol-5-yl)sulfanyl-N-methyl-N-[(2-morpholin-4-ylphenyl)methyl]acetamide
SMILESCN(Cc1ccccc1N1CCOCC1)C(=O)CSc1nnnn1C1CC1
InChIInChI=1S/C18H24N6O2S/c1-22(17(25)13-27-18-19-20-21-24(18)15-6-7-15)12-14-4-2-3-5-16(14)23-8-10-26-11-9-23/h2-5,15H,6-13H2,1H3
InChIKeyZNBBFPNBNVROAU-UHFFFAOYSA-N
MW388.50 g/mol
LogP1.60
Rot. Bonds7

About 2-(1-cyclopropyltetrazol-5-yl)sulfanyl-N-methyl-N-[(2-morpholin-4-ylphenyl)methyl]acetamide

2-(1-cyclopropyltetrazol-5-yl)sulfanyl-N-methyl-N-[(2-morpholin-4-ylphenyl)methyl]acetamide (PubChem CID 39681179) has the molecular formula C18H24N6O2S and a molecular weight of 388.50 g/mol. Its IUPAC name is 2-(1-cyclopropyltetrazol-5-yl)sulfanyl-N-methyl-N-[(2-morpholin-4-ylphenyl)methyl]acetamide.

Molecular Properties

Compound Name2-(1-cyclopropyltetrazol-5-yl)sulfanyl-N-methyl-N-[(2-morpholin-4-ylphenyl)methyl]acetamide
PubChem CID39681179
Molecular FormulaC18H24N6O2S
Molecular Weight388.50 g/mol
Exact Mass388.17
IUPAC Name2-(1-cyclopropyltetrazol-5-yl)sulfanyl-N-methyl-N-[(2-morpholin-4-ylphenyl)methyl]acetamide
SMILESCN(Cc1ccccc1N1CCOCC1)C(=O)CSc1nnnn1C1CC1
InChIInChI=1S/C18H24N6O2S/c1-22(17(25)13-27-18-19-20-21-24(18)15-6-7-15)12-14-4-2-3-5-16(14)23-8-10-26-11-9-23/h2-5,15H,6-13H2,1H3
InChIKeyZNBBFPNBNVROAU-UHFFFAOYSA-N
XLogP1.60
TPSA76.38 Ų
H-Bond Donors
H-Bond Acceptors8
Rotatable Bonds7
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500388.50
LogP ≤ 51.60
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 108

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Related Compounds

N-[(2-bromophenyl)methyl]-2-(1-cyclohexyltetrazol-5-yl)sulfanyl-N-methylacetamide
CID 24521893
2-(1-cyclopropyltetrazol-5-yl)sulfanyl-N-methyl-N-(thiophen-2-ylmethyl)acetamide
CID 24522843
2-(1-cyclopentyltetrazol-5-yl)sulfanyl-N-methyl-N-[[2-(trifluoromethyl)phenyl]methyl]acetamide
CID 134002877
2-(1-cyclopentyltetrazol-5-yl)sulfanyl-N-[(2,3-dichlorophenyl)methyl]-N-methylacetamide
CID 43053428
2-(1-cyclopentyltetrazol-5-yl)sulfanyl-N-methyl-N-[[2-(trifluoromethoxy)phenyl]methyl]acetamide
CID 43053844
N-methyl-2-(methylamino)-N-[(2-morpholin-4-ylphenyl)methyl]acetamide
CID 120703394
N,5-dimethyl-N-[(2-morpholin-4-ylphenyl)methyl]-1-piperidin-4-yltriazole-4-carboxamide
CID 119836424
N-[(5-chlorothiophen-2-yl)methyl]-2-(1-cyclohexyltetrazol-5-yl)sulfanyl-N-methylacetamide
CID 46639205
2-(8-azabicyclo[3.2.1]octan-3-yl)-N-methyl-N-[(2-morpholin-4-ylphenyl)methyl]acetamide;dihydrochloride
CID 119836459
3-cyclopentyl-1-methyl-1-[(2-morpholin-4-ylphenyl)methyl]urea
CID 38165863
2-(1-cyclopentyltetrazol-5-yl)sulfanyl-N-[(4-ethoxyphenyl)methyl]-N-methylacetamide
CID 27094394
2,2-dimethyl-N-[2-[methyl-[(2-morpholin-4-ylphenyl)methyl]amino]-2-oxoethyl]propanamide
CID 31645850

Frequently Asked Questions

What is the IUPAC name of 2-(1-cyclopropyltetrazol-5-yl)sulfanyl-N-methyl-N-[(2-morpholin-4-ylphenyl)methyl]acetamide?
The IUPAC name of 2-(1-cyclopropyltetrazol-5-yl)sulfanyl-N-methyl-N-[(2-morpholin-4-ylphenyl)methyl]acetamide (CID 39681179) is 2-(1-cyclopropyltetrazol-5-yl)sulfanyl-N-methyl-N-[(2-morpholin-4-ylphenyl)methyl]acetamide.
What is the SMILES notation for 2-(1-cyclopropyltetrazol-5-yl)sulfanyl-N-methyl-N-[(2-morpholin-4-ylphenyl)methyl]acetamide?
The canonical SMILES for 2-(1-cyclopropyltetrazol-5-yl)sulfanyl-N-methyl-N-[(2-morpholin-4-ylphenyl)methyl]acetamide is CN(Cc1ccccc1N1CCOCC1)C(=O)CSc1nnnn1C1CC1.
What is the InChIKey of 2-(1-cyclopropyltetrazol-5-yl)sulfanyl-N-methyl-N-[(2-morpholin-4-ylphenyl)methyl]acetamide?
The InChIKey is ZNBBFPNBNVROAU-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H24N6O2S/c1-22(17(25)13-27-18-19-20-21-24(18)15-6-7-15)12-14-4-2-3-5-16(14)23-8-10-26-11-9-23/h2-5,15H,6-13H2,1H3.
What are the key properties of 2-(1-cyclopropyltetrazol-5-yl)sulfanyl-N-methyl-N-[(2-morpholin-4-ylphenyl)methyl]acetamide?
2-(1-cyclopropyltetrazol-5-yl)sulfanyl-N-methyl-N-[(2-morpholin-4-ylphenyl)methyl]acetamide has a molecular weight of 388.50 g/mol, XLogP of 1.60, 7 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1-cyclopropyltetrazol-5-yl)sulfanyl-N-methyl-N-[(2-morpholin-4-ylphenyl)methyl]acetamide is sourced from PubChem (CID 39681179), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).