(2S)-N-cyclopropyl-2-[1-[(4-methoxyphenyl)methyl]tetrazol-5-yl]sulfanyl-2-phenylacetamide

C20H21N5O2S — CID 26387733

IUPAC(2S)-N-cyclopropyl-2-[1-[(4-methoxyphenyl)methyl]tetrazol-5-yl]sulfanyl-2-phenylacetamide
SMILESCOc1ccc(Cn2nnnc2S[C@H](C(=O)NC2CC2)c2ccccc2)cc1
InChIInChI=1S/C20H21N5O2S/c1-27-17-11-7-14(8-12-17)13-25-20(22-23-24-25)28-18(15-5-3-2-4-6-15)19(26)21-16-9-10-16/h2-8,11-12,16,18H,9-10,13H2,1H3,(H,21,26)/t18-/m0/s1
InChIKeyKTWZXFNYPQKFBH-SFHVURJKSA-N
MW395.49 g/mol
LogP2.84
Rot. Bonds8

About (2S)-N-cyclopropyl-2-[1-[(4-methoxyphenyl)methyl]tetrazol-5-yl]sulfanyl-2-phenylacetamide

(2S)-N-cyclopropyl-2-[1-[(4-methoxyphenyl)methyl]tetrazol-5-yl]sulfanyl-2-phenylacetamide (PubChem CID 26387733) has the molecular formula C20H21N5O2S and a molecular weight of 395.49 g/mol. Its IUPAC name is (2S)-N-cyclopropyl-2-[1-[(4-methoxyphenyl)methyl]tetrazol-5-yl]sulfanyl-2-phenylacetamide.

Molecular Properties

Compound Name(2S)-N-cyclopropyl-2-[1-[(4-methoxyphenyl)methyl]tetrazol-5-yl]sulfanyl-2-phenylacetamide
PubChem CID26387733
Molecular FormulaC20H21N5O2S
Molecular Weight395.49 g/mol
Exact Mass395.14
IUPAC Name(2S)-N-cyclopropyl-2-[1-[(4-methoxyphenyl)methyl]tetrazol-5-yl]sulfanyl-2-phenylacetamide
SMILESCOc1ccc(Cn2nnnc2S[C@H](C(=O)NC2CC2)c2ccccc2)cc1
InChIInChI=1S/C20H21N5O2S/c1-27-17-11-7-14(8-12-17)13-25-20(22-23-24-25)28-18(15-5-3-2-4-6-15)19(26)21-16-9-10-16/h2-8,11-12,16,18H,9-10,13H2,1H3,(H,21,26)/t18-/m0/s1
InChIKeyKTWZXFNYPQKFBH-SFHVURJKSA-N
XLogP2.84
TPSA81.93 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds8
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500395.49
LogP ≤ 52.84
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Related Compounds

2-(1-benzyltetrazol-5-yl)sulfanyl-N-cyclopropyl-2-phenylacetamide
CID 46640476
N-cyclohexyl-2-[1-[(4-methoxyphenyl)methyl]tetrazol-5-yl]sulfanylpropanamide
CID 46640192
N-cyclopropyl-2-phenyl-2-[1-(thiophen-2-ylmethyl)tetrazol-5-yl]sulfanylacetamide
CID 46639465
2-(1-cyclopropyltetrazol-5-yl)sulfanyl-N-(4-methoxyphenyl)-2-phenylacetamide
CID 46645485
(2R)-N-cyclopropyl-2-[1-(4-methoxyphenyl)imidazol-2-yl]sulfanyl-2-phenylacetamide
CID 40654553
2-(1-cyclopentyltetrazol-5-yl)sulfanyl-N-(4-methoxyphenyl)-2-phenylacetamide
CID 46645368
(2S)-2-(1-benzyltetrazol-5-yl)sulfanyl-N-(4-methoxyphenyl)-3-methylbutanamide
CID 33128020
N-cycloheptyl-2-(1-methyltetrazol-5-yl)sulfanyl-2-phenylacetamide
CID 132897669
(2R)-2-[[4-cyclohexyl-5-(4-methoxyphenyl)-1,2,4-triazol-3-yl]sulfanyl]-N-cyclopropyl-2-phenylacetamide
CID 41156113
N-cyclopropyl-2-[1-(2,6-dimethylphenyl)tetrazol-5-yl]sulfanyl-2-phenylacetamide
CID 51210204
(2S)-N-cyclopropyl-2-phenyl-2-[1-(4-propan-2-ylphenyl)tetrazol-5-yl]sulfanylacetamide
CID 8915841
N-cyclopropyl-2-[1-(3-methylphenyl)tetrazol-5-yl]sulfanyl-2-phenylacetamide
CID 51202919

Frequently Asked Questions

What is the IUPAC name of (2S)-N-cyclopropyl-2-[1-[(4-methoxyphenyl)methyl]tetrazol-5-yl]sulfanyl-2-phenylacetamide?
The IUPAC name of (2S)-N-cyclopropyl-2-[1-[(4-methoxyphenyl)methyl]tetrazol-5-yl]sulfanyl-2-phenylacetamide (CID 26387733) is (2S)-N-cyclopropyl-2-[1-[(4-methoxyphenyl)methyl]tetrazol-5-yl]sulfanyl-2-phenylacetamide.
What is the SMILES notation for (2S)-N-cyclopropyl-2-[1-[(4-methoxyphenyl)methyl]tetrazol-5-yl]sulfanyl-2-phenylacetamide?
The canonical SMILES for (2S)-N-cyclopropyl-2-[1-[(4-methoxyphenyl)methyl]tetrazol-5-yl]sulfanyl-2-phenylacetamide is COc1ccc(Cn2nnnc2S[C@H](C(=O)NC2CC2)c2ccccc2)cc1.
What is the InChIKey of (2S)-N-cyclopropyl-2-[1-[(4-methoxyphenyl)methyl]tetrazol-5-yl]sulfanyl-2-phenylacetamide?
The InChIKey is KTWZXFNYPQKFBH-SFHVURJKSA-N. The full InChI is InChI=1S/C20H21N5O2S/c1-27-17-11-7-14(8-12-17)13-25-20(22-23-24-25)28-18(15-5-3-2-4-6-15)19(26)21-16-9-10-16/h2-8,11-12,16,18H,9-10,13H2,1H3,(H,21,26)/t18-/m0/s1.
What are the key properties of (2S)-N-cyclopropyl-2-[1-[(4-methoxyphenyl)methyl]tetrazol-5-yl]sulfanyl-2-phenylacetamide?
(2S)-N-cyclopropyl-2-[1-[(4-methoxyphenyl)methyl]tetrazol-5-yl]sulfanyl-2-phenylacetamide has a molecular weight of 395.49 g/mol, XLogP of 2.84, 8 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-N-cyclopropyl-2-[1-[(4-methoxyphenyl)methyl]tetrazol-5-yl]sulfanyl-2-phenylacetamide is sourced from PubChem (CID 26387733), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).