(2R)-2-(5-chlorothiophen-2-yl)-N-[4-(2H-tetrazol-5-ylmethyl)phenyl]propanamide

C15H14ClN5OS — CID 97088649

IUPAC(2R)-2-(5-chlorothiophen-2-yl)-N-[4-(2H-tetrazol-5-ylmethyl)phenyl]propanamide
SMILESC[C@H](C(=O)Nc1ccc(Cc2nn[nH]n2)cc1)c1ccc(Cl)s1
InChIInChI=1S/C15H14ClN5OS/c1-9(12-6-7-13(16)23-12)15(22)17-11-4-2-10(3-5-11)8-14-18-20-21-19-14/h2-7,9H,8H2,1H3,(H,17,22)(H,18,19,20,21)/t9-/m0/s1
InChIKeyIKYTZVCCFCXUSR-VIFPVBQESA-N
MW347.83 g/mol
LogP3.25
Rot. Bonds5

About (2R)-2-(5-chlorothiophen-2-yl)-N-[4-(2H-tetrazol-5-ylmethyl)phenyl]propanamide

(2R)-2-(5-chlorothiophen-2-yl)-N-[4-(2H-tetrazol-5-ylmethyl)phenyl]propanamide (PubChem CID 97088649) has the molecular formula C15H14ClN5OS and a molecular weight of 347.83 g/mol. Its IUPAC name is (2R)-2-(5-chlorothiophen-2-yl)-N-[4-(2H-tetrazol-5-ylmethyl)phenyl]propanamide.

Molecular Properties

Compound Name(2R)-2-(5-chlorothiophen-2-yl)-N-[4-(2H-tetrazol-5-ylmethyl)phenyl]propanamide
PubChem CID97088649
Molecular FormulaC15H14ClN5OS
Molecular Weight347.83 g/mol
Exact Mass347.06
IUPAC Name(2R)-2-(5-chlorothiophen-2-yl)-N-[4-(2H-tetrazol-5-ylmethyl)phenyl]propanamide
SMILESC[C@H](C(=O)Nc1ccc(Cc2nn[nH]n2)cc1)c1ccc(Cl)s1
InChIInChI=1S/C15H14ClN5OS/c1-9(12-6-7-13(16)23-12)15(22)17-11-4-2-10(3-5-11)8-14-18-20-21-19-14/h2-7,9H,8H2,1H3,(H,17,22)(H,18,19,20,21)/t9-/m0/s1
InChIKeyIKYTZVCCFCXUSR-VIFPVBQESA-N
XLogP3.25
TPSA83.56 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500347.83
LogP ≤ 53.25
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

(2S)-2-cycloheptyloxy-N-[4-(2H-tetrazol-5-ylmethyl)phenyl]propanamide
CID 99585364
N-[1-(2-amino-2-oxoethyl)pyrazol-4-yl]-2-(5-chlorothiophen-2-yl)propanamide
CID 75376897
2,2,3,3,3-pentafluoro-N-[4-(2H-tetrazol-5-ylmethyl)phenyl]propanamide
CID 14253821
2-[6-(quinolin-2-ylmethoxy)naphthalen-2-yl]-N-[4-(2H-tetrazol-5-ylmethyl)phenyl]propanamide
CID 54221166
2-(2,3-difluorophenyl)-N-[4-(2H-tetrazol-5-ylmethyl)phenyl]acetamide
CID 71914595
(2R)-2-(5-chlorothiophen-2-yl)-N-(4-methylpyrimidin-2-yl)propanamide
CID 99842071
2,2,3,3,4,4,5,5,6,6,7,7,8,8,8-pentadecafluoro-N-[4-(2H-tetrazol-5-ylmethyl)phenyl]octanamide
CID 14253811
N-(4-ethylphenyl)-2-(2H-tetrazol-5-yl)acetamide
CID 110499439
(2S)-2-(5-chlorothiophen-2-yl)-N-[2-oxo-2-(1H-pyrazol-4-ylamino)ethyl]propanamide
CID 97221772
N-(3-aminopropyl)-2-(5-chlorothiophen-2-yl)propanamide
CID 119405790
methyl (2S)-2-[[(2S)-2-(5-chlorothiophen-2-yl)propanoyl]amino]butanoate
CID 97008635
2-(5-chlorothiophen-2-yl)-N-(2-hydroxy-2,3-dimethylbutyl)propanamide
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Frequently Asked Questions

What is the IUPAC name of (2R)-2-(5-chlorothiophen-2-yl)-N-[4-(2H-tetrazol-5-ylmethyl)phenyl]propanamide?
The IUPAC name of (2R)-2-(5-chlorothiophen-2-yl)-N-[4-(2H-tetrazol-5-ylmethyl)phenyl]propanamide (CID 97088649) is (2R)-2-(5-chlorothiophen-2-yl)-N-[4-(2H-tetrazol-5-ylmethyl)phenyl]propanamide.
What is the SMILES notation for (2R)-2-(5-chlorothiophen-2-yl)-N-[4-(2H-tetrazol-5-ylmethyl)phenyl]propanamide?
The canonical SMILES for (2R)-2-(5-chlorothiophen-2-yl)-N-[4-(2H-tetrazol-5-ylmethyl)phenyl]propanamide is C[C@H](C(=O)Nc1ccc(Cc2nn[nH]n2)cc1)c1ccc(Cl)s1.
What is the InChIKey of (2R)-2-(5-chlorothiophen-2-yl)-N-[4-(2H-tetrazol-5-ylmethyl)phenyl]propanamide?
The InChIKey is IKYTZVCCFCXUSR-VIFPVBQESA-N. The full InChI is InChI=1S/C15H14ClN5OS/c1-9(12-6-7-13(16)23-12)15(22)17-11-4-2-10(3-5-11)8-14-18-20-21-19-14/h2-7,9H,8H2,1H3,(H,17,22)(H,18,19,20,21)/t9-/m0/s1.
What are the key properties of (2R)-2-(5-chlorothiophen-2-yl)-N-[4-(2H-tetrazol-5-ylmethyl)phenyl]propanamide?
(2R)-2-(5-chlorothiophen-2-yl)-N-[4-(2H-tetrazol-5-ylmethyl)phenyl]propanamide has a molecular weight of 347.83 g/mol, XLogP of 3.25, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-2-(5-chlorothiophen-2-yl)-N-[4-(2H-tetrazol-5-ylmethyl)phenyl]propanamide is sourced from PubChem (CID 97088649), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).