N-(2-propylphenyl)-3-sulfanylbenzamide

C16H17NOS — CID 107025770

IUPACN-(2-propylphenyl)-3-sulfanylbenzamide
SMILESCCCc1ccccc1NC(=O)c1cccc(S)c1
InChIInChI=1S/C16H17NOS/c1-2-6-12-7-3-4-10-15(12)17-16(18)13-8-5-9-14(19)11-13/h3-5,7-11,19H,2,6H2,1H3,(H,17,18)
InChIKeyNIFUCRWQDXVNJT-UHFFFAOYSA-N
MW271.38 g/mol
LogP4.18
Rot. Bonds4

About N-(2-propylphenyl)-3-sulfanylbenzamide

N-(2-propylphenyl)-3-sulfanylbenzamide (PubChem CID 107025770) has the molecular formula C16H17NOS and a molecular weight of 271.38 g/mol. Its IUPAC name is N-(2-propylphenyl)-3-sulfanylbenzamide.

Molecular Properties

Compound NameN-(2-propylphenyl)-3-sulfanylbenzamide
PubChem CID107025770
Molecular FormulaC16H17NOS
Molecular Weight271.38 g/mol
Exact Mass271.10
IUPAC NameN-(2-propylphenyl)-3-sulfanylbenzamide
SMILESCCCc1ccccc1NC(=O)c1cccc(S)c1
InChIInChI=1S/C16H17NOS/c1-2-6-12-7-3-4-10-15(12)17-16(18)13-8-5-9-14(19)11-13/h3-5,7-11,19H,2,6H2,1H3,(H,17,18)
InChIKeyNIFUCRWQDXVNJT-UHFFFAOYSA-N
XLogP4.18
TPSA29.10 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500271.38
LogP ≤ 54.18
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'thiol_2', 'substructure': 'N/A'}

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Related Compounds

4-hydroxy-3-methyl-N-(2-propylphenyl)benzamide
CID 103956497
3,4,5-trifluoro-N-(2-propylphenyl)benzamide
CID 63188626
3,5-diacetamido-N-(2-propylphenyl)benzamide
CID 31869884
3-amino-4-chloro-N-(2-propylphenyl)benzamide
CID 43703947
2-chloro-N-(2-propylphenyl)pyridine-4-carboxamide
CID 31870056
1-methyl-2-oxo-N-(2-propylphenyl)pyridine-4-carboxamide
CID 31870618
3-bromo-4-fluoro-N-(2-propylphenyl)benzamide
CID 103706788
N-(2-ethyl-6-methylphenyl)-3-sulfanylbenzamide
CID 107019745
4-(bromomethyl)-N-(2-propylphenyl)benzamide
CID 102851108
N-(2-propylphenyl)-1H-indole-5-carboxamide
CID 63717145
ethane;N-(2-propylphenyl)acetamide
CID 142804217
2-[2-[(3-bromobenzoyl)amino]phenyl]acetic acid
CID 62537049

Frequently Asked Questions

What is the IUPAC name of N-(2-propylphenyl)-3-sulfanylbenzamide?
The IUPAC name of N-(2-propylphenyl)-3-sulfanylbenzamide (CID 107025770) is N-(2-propylphenyl)-3-sulfanylbenzamide.
What is the SMILES notation for N-(2-propylphenyl)-3-sulfanylbenzamide?
The canonical SMILES for N-(2-propylphenyl)-3-sulfanylbenzamide is CCCc1ccccc1NC(=O)c1cccc(S)c1.
What is the InChIKey of N-(2-propylphenyl)-3-sulfanylbenzamide?
The InChIKey is NIFUCRWQDXVNJT-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H17NOS/c1-2-6-12-7-3-4-10-15(12)17-16(18)13-8-5-9-14(19)11-13/h3-5,7-11,19H,2,6H2,1H3,(H,17,18).
What are the key properties of N-(2-propylphenyl)-3-sulfanylbenzamide?
N-(2-propylphenyl)-3-sulfanylbenzamide has a molecular weight of 271.38 g/mol, XLogP of 4.18, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-propylphenyl)-3-sulfanylbenzamide is sourced from PubChem (CID 107025770), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).