2-(4-chlorophenyl)sulfanyl-N-[4-(tetrazol-1-yl)phenyl]propanamide

C16H14ClN5OS — CID 4881594

IUPAC2-(4-chlorophenyl)sulfanyl-N-[4-(tetrazol-1-yl)phenyl]propanamide
SMILESCC(Sc1ccc(Cl)cc1)C(=O)Nc1ccc(-n2cnnn2)cc1
InChIInChI=1S/C16H14ClN5OS/c1-11(24-15-8-2-12(17)3-9-15)16(23)19-13-4-6-14(7-5-13)22-10-18-20-21-22/h2-11H,1H3,(H,19,23)
InChIKeyHZLCLYJOOWZZTR-UHFFFAOYSA-N
MW359.84 g/mol
LogP3.43
Rot. Bonds5

About 2-(4-chlorophenyl)sulfanyl-N-[4-(tetrazol-1-yl)phenyl]propanamide

2-(4-chlorophenyl)sulfanyl-N-[4-(tetrazol-1-yl)phenyl]propanamide (PubChem CID 4881594) has the molecular formula C16H14ClN5OS and a molecular weight of 359.84 g/mol. Its IUPAC name is 2-(4-chlorophenyl)sulfanyl-N-[4-(tetrazol-1-yl)phenyl]propanamide.

Molecular Properties

Compound Name2-(4-chlorophenyl)sulfanyl-N-[4-(tetrazol-1-yl)phenyl]propanamide
PubChem CID4881594
Molecular FormulaC16H14ClN5OS
Molecular Weight359.84 g/mol
Exact Mass359.06
IUPAC Name2-(4-chlorophenyl)sulfanyl-N-[4-(tetrazol-1-yl)phenyl]propanamide
SMILESCC(Sc1ccc(Cl)cc1)C(=O)Nc1ccc(-n2cnnn2)cc1
InChIInChI=1S/C16H14ClN5OS/c1-11(24-15-8-2-12(17)3-9-15)16(23)19-13-4-6-14(7-5-13)22-10-18-20-21-22/h2-11H,1H3,(H,19,23)
InChIKeyHZLCLYJOOWZZTR-UHFFFAOYSA-N
XLogP3.43
TPSA72.70 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500359.84
LogP ≤ 53.43
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

(2R)-N-(4-chlorophenyl)-2-[4-(tetrazol-1-yl)anilino]propanamide
CID 25340645
(2S)-2-(4-bromophenyl)sulfanyl-N-(4-chlorophenyl)propanamide
CID 7785397
(2S)-2-(4-chlorophenyl)sulfanyl-N-pyridin-4-ylpropanamide
CID 42561657
methyl 4-[[(2S)-2-(4-chlorophenyl)sulfanylpropanoyl]amino]benzoate
CID 970587
(2S)-2-amino-3-methyl-N-[4-(tetrazol-1-yl)phenyl]butanamide
CID 61259268
2-(4-chlorophenyl)sulfanyl-N-(3,4-dichlorophenyl)propanamide
CID 2865350
N-(4-chlorophenyl)-2-(1-propan-2-yltetrazol-5-yl)sulfanylpropanamide
CID 51245310
2,4-dichloro-N-[(2S)-4-methyl-1-oxo-1-[4-(tetrazol-1-yl)anilino]pentan-2-yl]benzamide
CID 51873691
N-(4-acetylphenyl)-2-[1-(4-chlorophenyl)tetrazol-5-yl]sulfanylpropanamide
CID 42963660
(2S)-N-(3-chlorophenyl)-2-[4-(tetrazol-1-yl)anilino]propanamide
CID 51969626
2-bromo-N-[4-(tetrazol-1-yl)phenyl]butanamide
CID 62854275
(2S)-2-amino-N-[4-(tetrazol-1-yl)phenyl]butanamide
CID 79022947

Frequently Asked Questions

What is the IUPAC name of 2-(4-chlorophenyl)sulfanyl-N-[4-(tetrazol-1-yl)phenyl]propanamide?
The IUPAC name of 2-(4-chlorophenyl)sulfanyl-N-[4-(tetrazol-1-yl)phenyl]propanamide (CID 4881594) is 2-(4-chlorophenyl)sulfanyl-N-[4-(tetrazol-1-yl)phenyl]propanamide.
What is the SMILES notation for 2-(4-chlorophenyl)sulfanyl-N-[4-(tetrazol-1-yl)phenyl]propanamide?
The canonical SMILES for 2-(4-chlorophenyl)sulfanyl-N-[4-(tetrazol-1-yl)phenyl]propanamide is CC(Sc1ccc(Cl)cc1)C(=O)Nc1ccc(-n2cnnn2)cc1.
What is the InChIKey of 2-(4-chlorophenyl)sulfanyl-N-[4-(tetrazol-1-yl)phenyl]propanamide?
The InChIKey is HZLCLYJOOWZZTR-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H14ClN5OS/c1-11(24-15-8-2-12(17)3-9-15)16(23)19-13-4-6-14(7-5-13)22-10-18-20-21-22/h2-11H,1H3,(H,19,23).
What are the key properties of 2-(4-chlorophenyl)sulfanyl-N-[4-(tetrazol-1-yl)phenyl]propanamide?
2-(4-chlorophenyl)sulfanyl-N-[4-(tetrazol-1-yl)phenyl]propanamide has a molecular weight of 359.84 g/mol, XLogP of 3.43, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-chlorophenyl)sulfanyl-N-[4-(tetrazol-1-yl)phenyl]propanamide is sourced from PubChem (CID 4881594), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).