3-(4-methylphenyl)sulfanyl-N-(1H-pyrrol-3-ylmethyl)propanamide

C15H18N2OS — CID 106385943

IUPAC3-(4-methylphenyl)sulfanyl-N-(1H-pyrrol-3-ylmethyl)propanamide
SMILESCc1ccc(SCCC(=O)NCc2cc[nH]c2)cc1
InChIInChI=1S/C15H18N2OS/c1-12-2-4-14(5-3-12)19-9-7-15(18)17-11-13-6-8-16-10-13/h2-6,8,10,16H,7,9,11H2,1H3,(H,17,18)
InChIKeyAXBYUQBVVSUYLO-UHFFFAOYSA-N
MW274.39 g/mol
LogP3.12
Rot. Bonds6

About 3-(4-methylphenyl)sulfanyl-N-(1H-pyrrol-3-ylmethyl)propanamide

3-(4-methylphenyl)sulfanyl-N-(1H-pyrrol-3-ylmethyl)propanamide (PubChem CID 106385943) has the molecular formula C15H18N2OS and a molecular weight of 274.39 g/mol. Its IUPAC name is 3-(4-methylphenyl)sulfanyl-N-(1H-pyrrol-3-ylmethyl)propanamide.

Molecular Properties

Compound Name3-(4-methylphenyl)sulfanyl-N-(1H-pyrrol-3-ylmethyl)propanamide
PubChem CID106385943
Molecular FormulaC15H18N2OS
Molecular Weight274.39 g/mol
Exact Mass274.11
IUPAC Name3-(4-methylphenyl)sulfanyl-N-(1H-pyrrol-3-ylmethyl)propanamide
SMILESCc1ccc(SCCC(=O)NCc2cc[nH]c2)cc1
InChIInChI=1S/C15H18N2OS/c1-12-2-4-14(5-3-12)19-9-7-15(18)17-11-13-6-8-16-10-13/h2-6,8,10,16H,7,9,11H2,1H3,(H,17,18)
InChIKeyAXBYUQBVVSUYLO-UHFFFAOYSA-N
XLogP3.12
TPSA44.89 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.39
LogP ≤ 53.12
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

N-[(4-fluorophenyl)methyl]-3-(4-methylphenyl)sulfanylpropanamide
CID 26796353
3-(4-chlorophenyl)sulfanyl-N-[(4-methylphenyl)methyl]propanamide
CID 883208
N-ethyl-3-(4-methylphenyl)sulfanylpropanamide
CID 962016
3-methoxy-N-(1H-pyrrol-3-ylmethyl)propanamide
CID 106385639
3-(4-methylphenyl)sulfanyl-N-[(4-propan-2-yloxyphenyl)methyl]propanamide
CID 30380045
N-(1H-pyrrol-3-ylmethyl)propanamide
CID 110782638
3-(4-methylphenyl)sulfanyl-N-(2-methylprop-2-enyl)propanamide
CID 114618833
3-(propan-2-ylamino)-N-(1H-pyrrol-3-ylmethyl)propanamide
CID 106384947
N-[(3-ethoxy-4-methoxyphenyl)methyl]-3-(4-methylphenyl)sulfanylpropanamide
CID 86950662
[2-[(4-fluorophenyl)methylamino]-2-oxoethyl] 3-(4-methylphenyl)sulfanylpropanoate
CID 2583503
5-bromo-N-(1H-pyrrol-3-ylmethyl)pentanamide
CID 106384569
N-(1H-pyrrol-3-ylmethyl)pent-4-ynamide
CID 106385371

Frequently Asked Questions

What is the IUPAC name of 3-(4-methylphenyl)sulfanyl-N-(1H-pyrrol-3-ylmethyl)propanamide?
The IUPAC name of 3-(4-methylphenyl)sulfanyl-N-(1H-pyrrol-3-ylmethyl)propanamide (CID 106385943) is 3-(4-methylphenyl)sulfanyl-N-(1H-pyrrol-3-ylmethyl)propanamide.
What is the SMILES notation for 3-(4-methylphenyl)sulfanyl-N-(1H-pyrrol-3-ylmethyl)propanamide?
The canonical SMILES for 3-(4-methylphenyl)sulfanyl-N-(1H-pyrrol-3-ylmethyl)propanamide is Cc1ccc(SCCC(=O)NCc2cc[nH]c2)cc1.
What is the InChIKey of 3-(4-methylphenyl)sulfanyl-N-(1H-pyrrol-3-ylmethyl)propanamide?
The InChIKey is AXBYUQBVVSUYLO-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H18N2OS/c1-12-2-4-14(5-3-12)19-9-7-15(18)17-11-13-6-8-16-10-13/h2-6,8,10,16H,7,9,11H2,1H3,(H,17,18).
What are the key properties of 3-(4-methylphenyl)sulfanyl-N-(1H-pyrrol-3-ylmethyl)propanamide?
3-(4-methylphenyl)sulfanyl-N-(1H-pyrrol-3-ylmethyl)propanamide has a molecular weight of 274.39 g/mol, XLogP of 3.12, 6 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4-methylphenyl)sulfanyl-N-(1H-pyrrol-3-ylmethyl)propanamide is sourced from PubChem (CID 106385943), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).