N-[(2-chlorophenyl)methyl]-3-(5-thiophen-2-yltetrazol-2-yl)propanamide

C15H14ClN5OS — CID 655576

IUPACN-[(2-chlorophenyl)methyl]-3-(5-thiophen-2-yltetrazol-2-yl)propanamide
SMILESO=C(CCn1nnc(-c2cccs2)n1)NCc1ccccc1Cl
InChIInChI=1S/C15H14ClN5OS/c16-12-5-2-1-4-11(12)10-17-14(22)7-8-21-19-15(18-20-21)13-6-3-9-23-13/h1-6,9H,7-8,10H2,(H,17,22)
InChIKeyXBITVBDVPRKMFE-UHFFFAOYSA-N
MW347.83 g/mol
LogP2.76
Rot. Bonds6

About N-[(2-chlorophenyl)methyl]-3-(5-thiophen-2-yltetrazol-2-yl)propanamide

N-[(2-chlorophenyl)methyl]-3-(5-thiophen-2-yltetrazol-2-yl)propanamide (PubChem CID 655576) has the molecular formula C15H14ClN5OS and a molecular weight of 347.83 g/mol. Its IUPAC name is N-[(2-chlorophenyl)methyl]-3-(5-thiophen-2-yltetrazol-2-yl)propanamide.

Molecular Properties

Compound NameN-[(2-chlorophenyl)methyl]-3-(5-thiophen-2-yltetrazol-2-yl)propanamide
PubChem CID655576
Molecular FormulaC15H14ClN5OS
Molecular Weight347.83 g/mol
Exact Mass347.06
IUPAC NameN-[(2-chlorophenyl)methyl]-3-(5-thiophen-2-yltetrazol-2-yl)propanamide
SMILESO=C(CCn1nnc(-c2cccs2)n1)NCc1ccccc1Cl
InChIInChI=1S/C15H14ClN5OS/c16-12-5-2-1-4-11(12)10-17-14(22)7-8-21-19-15(18-20-21)13-6-3-9-23-13/h1-6,9H,7-8,10H2,(H,17,22)
InChIKeyXBITVBDVPRKMFE-UHFFFAOYSA-N
XLogP2.76
TPSA72.70 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500347.83
LogP ≤ 52.76
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

3-[5-(4-chlorophenyl)tetrazol-2-yl]-N-(thiophen-2-ylmethyl)propanamide
CID 860036
N-[2-(2,4-dichlorophenyl)ethyl]-2-(5-thiophen-2-yltetrazol-2-yl)acetamide
CID 26245507
3-[[2-(5-thiophen-2-yltetrazol-2-yl)acetyl]amino]propanoic acid
CID 43354761
N-(2-ethylphenyl)-2-(5-thiophen-2-yltetrazol-2-yl)acetamide
CID 646110
2-[[2-(5-thiophen-2-yltetrazol-2-yl)acetyl]amino]acetic acid
CID 43354422
N-[(2-chlorophenyl)methyl]-2-(4-thiophen-2-yl-1,3-thiazol-5-yl)acetamide
CID 20995900
N-[(2-chlorophenyl)methyl]-2-[(3-thiophen-2-yl-[1,2,4]triazolo[4,3-b]pyridazin-6-yl)sulfanyl]acetamide
CID 43935566
N-[(2-chlorophenyl)methyl]-3-pyrrolidin-1-ylpropanamide
CID 110688132
2-(5-amino-6-oxo-3-thiophen-2-ylpyridazin-1-yl)-N-[(2-chlorophenyl)methyl]acetamide
CID 16676552
N-(cyclopropylmethyl)-2-(5-thiophen-2-yltetrazol-2-yl)acetamide
CID 856765
3-chloro-N-[(2-chlorophenyl)methyl]propanamide
CID 17126907
N-(5-hydroxypentyl)-2-(5-thiophen-2-yltetrazol-2-yl)acetamide
CID 107318928

Frequently Asked Questions

What is the IUPAC name of N-[(2-chlorophenyl)methyl]-3-(5-thiophen-2-yltetrazol-2-yl)propanamide?
The IUPAC name of N-[(2-chlorophenyl)methyl]-3-(5-thiophen-2-yltetrazol-2-yl)propanamide (CID 655576) is N-[(2-chlorophenyl)methyl]-3-(5-thiophen-2-yltetrazol-2-yl)propanamide.
What is the SMILES notation for N-[(2-chlorophenyl)methyl]-3-(5-thiophen-2-yltetrazol-2-yl)propanamide?
The canonical SMILES for N-[(2-chlorophenyl)methyl]-3-(5-thiophen-2-yltetrazol-2-yl)propanamide is O=C(CCn1nnc(-c2cccs2)n1)NCc1ccccc1Cl.
What is the InChIKey of N-[(2-chlorophenyl)methyl]-3-(5-thiophen-2-yltetrazol-2-yl)propanamide?
The InChIKey is XBITVBDVPRKMFE-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H14ClN5OS/c16-12-5-2-1-4-11(12)10-17-14(22)7-8-21-19-15(18-20-21)13-6-3-9-23-13/h1-6,9H,7-8,10H2,(H,17,22).
What are the key properties of N-[(2-chlorophenyl)methyl]-3-(5-thiophen-2-yltetrazol-2-yl)propanamide?
N-[(2-chlorophenyl)methyl]-3-(5-thiophen-2-yltetrazol-2-yl)propanamide has a molecular weight of 347.83 g/mol, XLogP of 2.76, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2-chlorophenyl)methyl]-3-(5-thiophen-2-yltetrazol-2-yl)propanamide is sourced from PubChem (CID 655576), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).