(2S)-N-benzhydryl-2-[1-(4-methoxyphenyl)tetrazol-5-yl]sulfanylpropanamide

C24H23N5O2S — CID 40941826

IUPAC(2S)-N-benzhydryl-2-[1-(4-methoxyphenyl)tetrazol-5-yl]sulfanylpropanamide
SMILESCOc1ccc(-n2nnnc2S[C@@H](C)C(=O)NC(c2ccccc2)c2ccccc2)cc1
InChIInChI=1S/C24H23N5O2S/c1-17(32-24-26-27-28-29(24)20-13-15-21(31-2)16-14-20)23(30)25-22(18-9-5-3-6-10-18)19-11-7-4-8-12-19/h3-17,22H,1-2H3,(H,25,30)/t17-/m0/s1
InChIKeyNZPDKMYFGDHYSS-KRWDZBQOSA-N
MW445.55 g/mol
LogP4.06
Rot. Bonds8

About (2S)-N-benzhydryl-2-[1-(4-methoxyphenyl)tetrazol-5-yl]sulfanylpropanamide

(2S)-N-benzhydryl-2-[1-(4-methoxyphenyl)tetrazol-5-yl]sulfanylpropanamide (PubChem CID 40941826) has the molecular formula C24H23N5O2S and a molecular weight of 445.55 g/mol. Its IUPAC name is (2S)-N-benzhydryl-2-[1-(4-methoxyphenyl)tetrazol-5-yl]sulfanylpropanamide.

Molecular Properties

Compound Name(2S)-N-benzhydryl-2-[1-(4-methoxyphenyl)tetrazol-5-yl]sulfanylpropanamide
PubChem CID40941826
Molecular FormulaC24H23N5O2S
Molecular Weight445.55 g/mol
Exact Mass445.16
IUPAC Name(2S)-N-benzhydryl-2-[1-(4-methoxyphenyl)tetrazol-5-yl]sulfanylpropanamide
SMILESCOc1ccc(-n2nnnc2S[C@@H](C)C(=O)NC(c2ccccc2)c2ccccc2)cc1
InChIInChI=1S/C24H23N5O2S/c1-17(32-24-26-27-28-29(24)20-13-15-21(31-2)16-14-20)23(30)25-22(18-9-5-3-6-10-18)19-11-7-4-8-12-19/h3-17,22H,1-2H3,(H,25,30)/t17-/m0/s1
InChIKeyNZPDKMYFGDHYSS-KRWDZBQOSA-N
XLogP4.06
TPSA81.93 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds8
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500445.55
LogP ≤ 54.06
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Related Compounds

(2R)-2-[1-(4-methoxyphenyl)tetrazol-5-yl]sulfanyl-N-phenylpropanamide
CID 2618654
(2S)-N-benzhydryl-2-[1-(2-methoxyphenyl)tetrazol-5-yl]sulfanylpropanamide
CID 40860377
(2S)-N-(2-chlorophenyl)-2-[1-(4-methoxyphenyl)tetrazol-5-yl]sulfanylpropanamide
CID 7464745
(2S)-2-[1-(4-methoxyphenyl)tetrazol-5-yl]sulfanyl-N-(4-phenyl-1,3-thiazol-2-yl)propanamide
CID 2618602
2-[1-(4-methoxyphenyl)tetrazol-5-yl]sulfanyl-N-(methylcarbamoyl)propanamide
CID 16569702
2-[1-(4-methoxyphenyl)tetrazol-5-yl]sulfanyl-N-naphthalen-2-ylpropanamide
CID 18289109
2-[1-(4-methoxyphenyl)tetrazol-5-yl]sulfanyl-2-phenylacetamide
CID 51299112
(2S)-N-(3-methoxyphenyl)-2-[1-(4-methoxyphenyl)tetrazol-5-yl]sulfanylpropanamide
CID 7464728
(2S)-N-(2-cyanophenyl)-2-[1-(4-methoxyphenyl)tetrazol-5-yl]sulfanylpropanamide
CID 2618684
(2S)-1-(4-methoxyphenyl)-2-[1-(4-methoxyphenyl)tetrazol-5-yl]sulfanylpropan-1-one
CID 7863785
(2R)-N-(2,5-dichlorophenyl)-2-[1-(4-methoxyphenyl)tetrazol-5-yl]sulfanylpropanamide
CID 2618637
N-(1-phenylbutyl)-2-(1-phenyltetrazol-5-yl)sulfanylpropanamide
CID 51183645

Frequently Asked Questions

What is the IUPAC name of (2S)-N-benzhydryl-2-[1-(4-methoxyphenyl)tetrazol-5-yl]sulfanylpropanamide?
The IUPAC name of (2S)-N-benzhydryl-2-[1-(4-methoxyphenyl)tetrazol-5-yl]sulfanylpropanamide (CID 40941826) is (2S)-N-benzhydryl-2-[1-(4-methoxyphenyl)tetrazol-5-yl]sulfanylpropanamide.
What is the SMILES notation for (2S)-N-benzhydryl-2-[1-(4-methoxyphenyl)tetrazol-5-yl]sulfanylpropanamide?
The canonical SMILES for (2S)-N-benzhydryl-2-[1-(4-methoxyphenyl)tetrazol-5-yl]sulfanylpropanamide is COc1ccc(-n2nnnc2S[C@@H](C)C(=O)NC(c2ccccc2)c2ccccc2)cc1.
What is the InChIKey of (2S)-N-benzhydryl-2-[1-(4-methoxyphenyl)tetrazol-5-yl]sulfanylpropanamide?
The InChIKey is NZPDKMYFGDHYSS-KRWDZBQOSA-N. The full InChI is InChI=1S/C24H23N5O2S/c1-17(32-24-26-27-28-29(24)20-13-15-21(31-2)16-14-20)23(30)25-22(18-9-5-3-6-10-18)19-11-7-4-8-12-19/h3-17,22H,1-2H3,(H,25,30)/t17-/m0/s1.
What are the key properties of (2S)-N-benzhydryl-2-[1-(4-methoxyphenyl)tetrazol-5-yl]sulfanylpropanamide?
(2S)-N-benzhydryl-2-[1-(4-methoxyphenyl)tetrazol-5-yl]sulfanylpropanamide has a molecular weight of 445.55 g/mol, XLogP of 4.06, 8 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-N-benzhydryl-2-[1-(4-methoxyphenyl)tetrazol-5-yl]sulfanylpropanamide is sourced from PubChem (CID 40941826), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).