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

C24H23N5O2S — CID 40860377

IUPAC(2S)-N-benzhydryl-2-[1-(2-methoxyphenyl)tetrazol-5-yl]sulfanylpropanamide
SMILESCOc1ccccc1-n1nnnc1S[C@@H](C)C(=O)NC(c1ccccc1)c1ccccc1
InChIInChI=1S/C24H23N5O2S/c1-17(32-24-26-27-28-29(24)20-15-9-10-16-21(20)31-2)23(30)25-22(18-11-5-3-6-12-18)19-13-7-4-8-14-19/h3-17,22H,1-2H3,(H,25,30)/t17-/m0/s1
InChIKeyBXCVEFSMLWNOSZ-KRWDZBQOSA-N
MW445.55 g/mol
LogP4.06
Rot. Bonds8

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

(2S)-N-benzhydryl-2-[1-(2-methoxyphenyl)tetrazol-5-yl]sulfanylpropanamide (PubChem CID 40860377) has the molecular formula C24H23N5O2S and a molecular weight of 445.55 g/mol. Its IUPAC name is (2S)-N-benzhydryl-2-[1-(2-methoxyphenyl)tetrazol-5-yl]sulfanylpropanamide.

Molecular Properties

Compound Name(2S)-N-benzhydryl-2-[1-(2-methoxyphenyl)tetrazol-5-yl]sulfanylpropanamide
PubChem CID40860377
Molecular FormulaC24H23N5O2S
Molecular Weight445.55 g/mol
Exact Mass445.16
IUPAC Name(2S)-N-benzhydryl-2-[1-(2-methoxyphenyl)tetrazol-5-yl]sulfanylpropanamide
SMILESCOc1ccccc1-n1nnnc1S[C@@H](C)C(=O)NC(c1ccccc1)c1ccccc1
InChIInChI=1S/C24H23N5O2S/c1-17(32-24-26-27-28-29(24)20-15-9-10-16-21(20)31-2)23(30)25-22(18-11-5-3-6-12-18)19-13-7-4-8-14-19/h3-17,22H,1-2H3,(H,25,30)/t17-/m0/s1
InChIKeyBXCVEFSMLWNOSZ-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

(2S)-N-benzhydryl-2-[1-(4-methoxyphenyl)tetrazol-5-yl]sulfanylpropanamide
CID 40941826
N-(2-chlorophenyl)-2-[1-(2-methoxyphenyl)tetrazol-5-yl]sulfanylpropanamide
CID 16650689
(2R)-N-(4-methoxyphenyl)-2-[1-(2-methoxyphenyl)tetrazol-5-yl]sulfanylpropanamide
CID 42108956
2-[1-(2-methoxyphenyl)tetrazol-5-yl]sulfanyl-N-(2,2,2-trifluoroethyl)propanamide
CID 78761412
N-(2,3-dichlorophenyl)-2-[1-(2-methoxyphenyl)tetrazol-5-yl]sulfanylpropanamide
CID 16535943
(2S)-N-[2-(4-fluorophenyl)ethyl]-2-[1-(2-methoxyphenyl)tetrazol-5-yl]sulfanylpropanamide
CID 8693395
(2R)-N-(4-acetylphenyl)-2-[1-(2-methoxyphenyl)tetrazol-5-yl]sulfanylpropanamide
CID 26477999
N-[(3,4-dimethoxyphenyl)methyl]-2-[1-(2-methoxyphenyl)tetrazol-5-yl]sulfanylpropanamide
CID 55418579
(2R)-2-[1-(2-chlorophenyl)tetrazol-5-yl]sulfanyl-N-(2-methoxyphenyl)propanamide
CID 42108952
(2S)-2-[1-(2-methoxyphenyl)tetrazol-5-yl]sulfanyl-N-(1,3-thiazol-2-yl)propanamide
CID 42497210
1-(4-chlorophenyl)-2-[1-(2-methoxyphenyl)tetrazol-5-yl]sulfanylpropan-1-one
CID 16560324
2-[1-(2-methoxyphenyl)tetrazol-5-yl]sulfanyl-N-(4-methylphenyl)-2-phenylacetamide
CID 16535961

Frequently Asked Questions

What is the IUPAC name of (2S)-N-benzhydryl-2-[1-(2-methoxyphenyl)tetrazol-5-yl]sulfanylpropanamide?
The IUPAC name of (2S)-N-benzhydryl-2-[1-(2-methoxyphenyl)tetrazol-5-yl]sulfanylpropanamide (CID 40860377) is (2S)-N-benzhydryl-2-[1-(2-methoxyphenyl)tetrazol-5-yl]sulfanylpropanamide.
What is the SMILES notation for (2S)-N-benzhydryl-2-[1-(2-methoxyphenyl)tetrazol-5-yl]sulfanylpropanamide?
The canonical SMILES for (2S)-N-benzhydryl-2-[1-(2-methoxyphenyl)tetrazol-5-yl]sulfanylpropanamide is COc1ccccc1-n1nnnc1S[C@@H](C)C(=O)NC(c1ccccc1)c1ccccc1.
What is the InChIKey of (2S)-N-benzhydryl-2-[1-(2-methoxyphenyl)tetrazol-5-yl]sulfanylpropanamide?
The InChIKey is BXCVEFSMLWNOSZ-KRWDZBQOSA-N. The full InChI is InChI=1S/C24H23N5O2S/c1-17(32-24-26-27-28-29(24)20-15-9-10-16-21(20)31-2)23(30)25-22(18-11-5-3-6-12-18)19-13-7-4-8-14-19/h3-17,22H,1-2H3,(H,25,30)/t17-/m0/s1.
What are the key properties of (2S)-N-benzhydryl-2-[1-(2-methoxyphenyl)tetrazol-5-yl]sulfanylpropanamide?
(2S)-N-benzhydryl-2-[1-(2-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-(2-methoxyphenyl)tetrazol-5-yl]sulfanylpropanamide is sourced from PubChem (CID 40860377), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).