3-[2-[(5-chlorothiophen-2-yl)methylamino]phenyl]sulfanylpropanamide

C14H15ClN2OS2 — CID 75385357

IUPAC3-[2-[(5-chlorothiophen-2-yl)methylamino]phenyl]sulfanylpropanamide
SMILESNC(=O)CCSc1ccccc1NCc1ccc(Cl)s1
InChIInChI=1S/C14H15ClN2OS2/c15-13-6-5-10(20-13)9-17-11-3-1-2-4-12(11)19-8-7-14(16)18/h1-6,17H,7-9H2,(H2,16,18)
InChIKeyYAQXRZQRNYVKIR-UHFFFAOYSA-N
MW326.87 g/mol
LogP3.98
Rot. Bonds7

About 3-[2-[(5-chlorothiophen-2-yl)methylamino]phenyl]sulfanylpropanamide

3-[2-[(5-chlorothiophen-2-yl)methylamino]phenyl]sulfanylpropanamide (PubChem CID 75385357) has the molecular formula C14H15ClN2OS2 and a molecular weight of 326.87 g/mol. Its IUPAC name is 3-[2-[(5-chlorothiophen-2-yl)methylamino]phenyl]sulfanylpropanamide.

Molecular Properties

Compound Name3-[2-[(5-chlorothiophen-2-yl)methylamino]phenyl]sulfanylpropanamide
PubChem CID75385357
Molecular FormulaC14H15ClN2OS2
Molecular Weight326.87 g/mol
Exact Mass326.03
IUPAC Name3-[2-[(5-chlorothiophen-2-yl)methylamino]phenyl]sulfanylpropanamide
SMILESNC(=O)CCSc1ccccc1NCc1ccc(Cl)s1
InChIInChI=1S/C14H15ClN2OS2/c15-13-6-5-10(20-13)9-17-11-3-1-2-4-12(11)19-8-7-14(16)18/h1-6,17H,7-9H2,(H2,16,18)
InChIKeyYAQXRZQRNYVKIR-UHFFFAOYSA-N
XLogP3.98
TPSA55.12 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500326.87
LogP ≤ 53.98
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 3-[2-[(5-chlorothiophen-2-yl)methylamino]phenyl]sulfanylpropanamide?
The IUPAC name of 3-[2-[(5-chlorothiophen-2-yl)methylamino]phenyl]sulfanylpropanamide (CID 75385357) is 3-[2-[(5-chlorothiophen-2-yl)methylamino]phenyl]sulfanylpropanamide.
What is the SMILES notation for 3-[2-[(5-chlorothiophen-2-yl)methylamino]phenyl]sulfanylpropanamide?
The canonical SMILES for 3-[2-[(5-chlorothiophen-2-yl)methylamino]phenyl]sulfanylpropanamide is NC(=O)CCSc1ccccc1NCc1ccc(Cl)s1.
What is the InChIKey of 3-[2-[(5-chlorothiophen-2-yl)methylamino]phenyl]sulfanylpropanamide?
The InChIKey is YAQXRZQRNYVKIR-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H15ClN2OS2/c15-13-6-5-10(20-13)9-17-11-3-1-2-4-12(11)19-8-7-14(16)18/h1-6,17H,7-9H2,(H2,16,18).
What are the key properties of 3-[2-[(5-chlorothiophen-2-yl)methylamino]phenyl]sulfanylpropanamide?
3-[2-[(5-chlorothiophen-2-yl)methylamino]phenyl]sulfanylpropanamide has a molecular weight of 326.87 g/mol, XLogP of 3.98, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[2-[(5-chlorothiophen-2-yl)methylamino]phenyl]sulfanylpropanamide is sourced from PubChem (CID 75385357), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).