N-[(4-methoxyphenyl)methyl]-2-(1-methyltetrazol-5-yl)sulfanyl-N-[(2S)-1-thiophen-2-ylpropan-2-yl]acetamide

C19H23N5O2S2 — CID 8564779

IUPACN-[(4-methoxyphenyl)methyl]-2-(1-methyltetrazol-5-yl)sulfanyl-N-[(2S)-1-thiophen-2-ylpropan-2-yl]acetamide
SMILESCOc1ccc(CN(C(=O)CSc2nnnn2C)[C@@H](C)Cc2cccs2)cc1
InChIInChI=1S/C19H23N5O2S2/c1-14(11-17-5-4-10-27-17)24(12-15-6-8-16(26-3)9-7-15)18(25)13-28-19-20-21-22-23(19)2/h4-10,14H,11-13H2,1-3H3/t14-/m0/s1
InChIKeyALYFPUMZYRZBDY-AWEZNQCLSA-N
MW417.56 g/mol
LogP3.03
Rot. Bonds9

About N-[(4-methoxyphenyl)methyl]-2-(1-methyltetrazol-5-yl)sulfanyl-N-[(2S)-1-thiophen-2-ylpropan-2-yl]acetamide

N-[(4-methoxyphenyl)methyl]-2-(1-methyltetrazol-5-yl)sulfanyl-N-[(2S)-1-thiophen-2-ylpropan-2-yl]acetamide (PubChem CID 8564779) has the molecular formula C19H23N5O2S2 and a molecular weight of 417.56 g/mol. Its IUPAC name is N-[(4-methoxyphenyl)methyl]-2-(1-methyltetrazol-5-yl)sulfanyl-N-[(2S)-1-thiophen-2-ylpropan-2-yl]acetamide.

Molecular Properties

Compound NameN-[(4-methoxyphenyl)methyl]-2-(1-methyltetrazol-5-yl)sulfanyl-N-[(2S)-1-thiophen-2-ylpropan-2-yl]acetamide
PubChem CID8564779
Molecular FormulaC19H23N5O2S2
Molecular Weight417.56 g/mol
Exact Mass417.13
IUPAC NameN-[(4-methoxyphenyl)methyl]-2-(1-methyltetrazol-5-yl)sulfanyl-N-[(2S)-1-thiophen-2-ylpropan-2-yl]acetamide
SMILESCOc1ccc(CN(C(=O)CSc2nnnn2C)[C@@H](C)Cc2cccs2)cc1
InChIInChI=1S/C19H23N5O2S2/c1-14(11-17-5-4-10-27-17)24(12-15-6-8-16(26-3)9-7-15)18(25)13-28-19-20-21-22-23(19)2/h4-10,14H,11-13H2,1-3H3/t14-/m0/s1
InChIKeyALYFPUMZYRZBDY-AWEZNQCLSA-N
XLogP3.03
TPSA73.14 Ų
H-Bond Donors
H-Bond Acceptors8
Rotatable Bonds9
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500417.56
LogP ≤ 53.03
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 108

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Related Compounds

N-[(4-methoxyphenyl)methyl]-N-methyl-2-(1-methyltetrazol-5-yl)sulfanylacetamide
CID 78760300
N-[(4-methoxyphenyl)methyl]-2-[[5-(prop-2-enylamino)-1,3,4-thiadiazol-2-yl]sulfanyl]-N-(1-thiophen-2-ylpropan-2-yl)acetamide
CID 45355481
2-(4-cyanophenoxy)-N-[(4-methoxyphenyl)methyl]-N-[(2S)-1-thiophen-2-ylpropan-2-yl]acetamide
CID 9012728
N-[(4-methoxyphenyl)methyl]-2-(4-oxothieno[3,2-d]pyrimidin-3-yl)-N-[(2S)-1-thiophen-2-ylpropan-2-yl]acetamide
CID 33279598
[2-[(4-methoxyphenyl)methyl-[(2S)-1-thiophen-2-ylpropan-2-yl]amino]-2-oxoethyl] 1H-pyrrole-2-carboxylate
CID 8550945
2-(1-cyclopentyltetrazol-5-yl)sulfanyl-N-(1-cyclopropylethyl)-N-[(4-methoxyphenyl)methyl]acetamide
CID 56560718
N-[(4-methoxyphenyl)methyl]-2-(8-methyl-2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl)-N-[(2R)-1-thiophen-2-ylpropan-2-yl]acetamide
CID 41218785
5,6-dichloro-N-[(4-methoxyphenyl)methyl]-N-(1-thiophen-2-ylpropan-2-yl)pyridine-3-carboxamide
CID 16626042
1-[(4-methoxyphenyl)methyl]-3-(2-methylphenyl)-1-[(2R)-1-thiophen-2-ylpropan-2-yl]thiourea
CID 8658573
2-[(4-methoxyphenyl)methyl-(1-thiophen-2-ylpropan-2-yl)amino]-N-(propylcarbamoyl)acetamide
CID 24587570
N-[(4-methoxyphenyl)methyl]-2,2-dioxo-N-[(2R)-1-thiophen-2-ylpropan-2-yl]-3,4-dihydropyrido[2,1-c][1,2,4]thiadiazine-9-carboxamide
CID 25499243
N-[(4-chlorophenyl)methyl]-3,3-dimethyl-N-[(2S)-1-thiophen-2-ylpropan-2-yl]butanamide
CID 2370945

Frequently Asked Questions

What is the IUPAC name of N-[(4-methoxyphenyl)methyl]-2-(1-methyltetrazol-5-yl)sulfanyl-N-[(2S)-1-thiophen-2-ylpropan-2-yl]acetamide?
The IUPAC name of N-[(4-methoxyphenyl)methyl]-2-(1-methyltetrazol-5-yl)sulfanyl-N-[(2S)-1-thiophen-2-ylpropan-2-yl]acetamide (CID 8564779) is N-[(4-methoxyphenyl)methyl]-2-(1-methyltetrazol-5-yl)sulfanyl-N-[(2S)-1-thiophen-2-ylpropan-2-yl]acetamide.
What is the SMILES notation for N-[(4-methoxyphenyl)methyl]-2-(1-methyltetrazol-5-yl)sulfanyl-N-[(2S)-1-thiophen-2-ylpropan-2-yl]acetamide?
The canonical SMILES for N-[(4-methoxyphenyl)methyl]-2-(1-methyltetrazol-5-yl)sulfanyl-N-[(2S)-1-thiophen-2-ylpropan-2-yl]acetamide is COc1ccc(CN(C(=O)CSc2nnnn2C)[C@@H](C)Cc2cccs2)cc1.
What is the InChIKey of N-[(4-methoxyphenyl)methyl]-2-(1-methyltetrazol-5-yl)sulfanyl-N-[(2S)-1-thiophen-2-ylpropan-2-yl]acetamide?
The InChIKey is ALYFPUMZYRZBDY-AWEZNQCLSA-N. The full InChI is InChI=1S/C19H23N5O2S2/c1-14(11-17-5-4-10-27-17)24(12-15-6-8-16(26-3)9-7-15)18(25)13-28-19-20-21-22-23(19)2/h4-10,14H,11-13H2,1-3H3/t14-/m0/s1.
What are the key properties of N-[(4-methoxyphenyl)methyl]-2-(1-methyltetrazol-5-yl)sulfanyl-N-[(2S)-1-thiophen-2-ylpropan-2-yl]acetamide?
N-[(4-methoxyphenyl)methyl]-2-(1-methyltetrazol-5-yl)sulfanyl-N-[(2S)-1-thiophen-2-ylpropan-2-yl]acetamide has a molecular weight of 417.56 g/mol, XLogP of 3.03, 9 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(4-methoxyphenyl)methyl]-2-(1-methyltetrazol-5-yl)sulfanyl-N-[(2S)-1-thiophen-2-ylpropan-2-yl]acetamide is sourced from PubChem (CID 8564779), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).