(2S)-N-[(3-methylthiophen-2-yl)methyl]-3-phenyl-2-(tetrazol-1-yl)propanamide

C16H17N5OS — CID 33264815

IUPAC(2S)-N-[(3-methylthiophen-2-yl)methyl]-3-phenyl-2-(tetrazol-1-yl)propanamide
SMILESCc1ccsc1CNC(=O)[C@H](Cc1ccccc1)n1cnnn1
InChIInChI=1S/C16H17N5OS/c1-12-7-8-23-15(12)10-17-16(22)14(21-11-18-19-20-21)9-13-5-3-2-4-6-13/h2-8,11,14H,9-10H2,1H3,(H,17,22)/t14-/m0/s1
InChIKeyLVTHSDKYSMCOQQ-AWEZNQCLSA-N
MW327.41 g/mol
LogP2.14
Rot. Bonds6

About (2S)-N-[(3-methylthiophen-2-yl)methyl]-3-phenyl-2-(tetrazol-1-yl)propanamide

(2S)-N-[(3-methylthiophen-2-yl)methyl]-3-phenyl-2-(tetrazol-1-yl)propanamide (PubChem CID 33264815) has the molecular formula C16H17N5OS and a molecular weight of 327.41 g/mol. Its IUPAC name is (2S)-N-[(3-methylthiophen-2-yl)methyl]-3-phenyl-2-(tetrazol-1-yl)propanamide.

Molecular Properties

Compound Name(2S)-N-[(3-methylthiophen-2-yl)methyl]-3-phenyl-2-(tetrazol-1-yl)propanamide
PubChem CID33264815
Molecular FormulaC16H17N5OS
Molecular Weight327.41 g/mol
Exact Mass327.12
IUPAC Name(2S)-N-[(3-methylthiophen-2-yl)methyl]-3-phenyl-2-(tetrazol-1-yl)propanamide
SMILESCc1ccsc1CNC(=O)[C@H](Cc1ccccc1)n1cnnn1
InChIInChI=1S/C16H17N5OS/c1-12-7-8-23-15(12)10-17-16(22)14(21-11-18-19-20-21)9-13-5-3-2-4-6-13/h2-8,11,14H,9-10H2,1H3,(H,17,22)/t14-/m0/s1
InChIKeyLVTHSDKYSMCOQQ-AWEZNQCLSA-N
XLogP2.14
TPSA72.70 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500327.41
LogP ≤ 52.14
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of (2S)-N-[(3-methylthiophen-2-yl)methyl]-3-phenyl-2-(tetrazol-1-yl)propanamide?
The IUPAC name of (2S)-N-[(3-methylthiophen-2-yl)methyl]-3-phenyl-2-(tetrazol-1-yl)propanamide (CID 33264815) is (2S)-N-[(3-methylthiophen-2-yl)methyl]-3-phenyl-2-(tetrazol-1-yl)propanamide.
What is the SMILES notation for (2S)-N-[(3-methylthiophen-2-yl)methyl]-3-phenyl-2-(tetrazol-1-yl)propanamide?
The canonical SMILES for (2S)-N-[(3-methylthiophen-2-yl)methyl]-3-phenyl-2-(tetrazol-1-yl)propanamide is Cc1ccsc1CNC(=O)[C@H](Cc1ccccc1)n1cnnn1.
What is the InChIKey of (2S)-N-[(3-methylthiophen-2-yl)methyl]-3-phenyl-2-(tetrazol-1-yl)propanamide?
The InChIKey is LVTHSDKYSMCOQQ-AWEZNQCLSA-N. The full InChI is InChI=1S/C16H17N5OS/c1-12-7-8-23-15(12)10-17-16(22)14(21-11-18-19-20-21)9-13-5-3-2-4-6-13/h2-8,11,14H,9-10H2,1H3,(H,17,22)/t14-/m0/s1.
What are the key properties of (2S)-N-[(3-methylthiophen-2-yl)methyl]-3-phenyl-2-(tetrazol-1-yl)propanamide?
(2S)-N-[(3-methylthiophen-2-yl)methyl]-3-phenyl-2-(tetrazol-1-yl)propanamide has a molecular weight of 327.41 g/mol, XLogP of 2.14, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-N-[(3-methylthiophen-2-yl)methyl]-3-phenyl-2-(tetrazol-1-yl)propanamide is sourced from PubChem (CID 33264815), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).