N-[(4-chlorophenyl)-thiophen-2-ylmethyl]-2-(pyridin-3-ylmethylsulfanyl)acetamide

C19H17ClN2OS2 — CID 55751667

IUPACN-[(4-chlorophenyl)-thiophen-2-ylmethyl]-2-(pyridin-3-ylmethylsulfanyl)acetamide
SMILESO=C(CSCc1cccnc1)NC(c1ccc(Cl)cc1)c1cccs1
InChIInChI=1S/C19H17ClN2OS2/c20-16-7-5-15(6-8-16)19(17-4-2-10-25-17)22-18(23)13-24-12-14-3-1-9-21-11-14/h1-11,19H,12-13H2,(H,22,23)
InChIKeyDPNLFDURZQKJNT-UHFFFAOYSA-N
MW388.95 g/mol
LogP4.94
Rot. Bonds7

About N-[(4-chlorophenyl)-thiophen-2-ylmethyl]-2-(pyridin-3-ylmethylsulfanyl)acetamide

N-[(4-chlorophenyl)-thiophen-2-ylmethyl]-2-(pyridin-3-ylmethylsulfanyl)acetamide (PubChem CID 55751667) has the molecular formula C19H17ClN2OS2 and a molecular weight of 388.95 g/mol. Its IUPAC name is N-[(4-chlorophenyl)-thiophen-2-ylmethyl]-2-(pyridin-3-ylmethylsulfanyl)acetamide.

Molecular Properties

Compound NameN-[(4-chlorophenyl)-thiophen-2-ylmethyl]-2-(pyridin-3-ylmethylsulfanyl)acetamide
PubChem CID55751667
Molecular FormulaC19H17ClN2OS2
Molecular Weight388.95 g/mol
Exact Mass388.05
IUPAC NameN-[(4-chlorophenyl)-thiophen-2-ylmethyl]-2-(pyridin-3-ylmethylsulfanyl)acetamide
SMILESO=C(CSCc1cccnc1)NC(c1ccc(Cl)cc1)c1cccs1
InChIInChI=1S/C19H17ClN2OS2/c20-16-7-5-15(6-8-16)19(17-4-2-10-25-17)22-18(23)13-24-12-14-3-1-9-21-11-14/h1-11,19H,12-13H2,(H,22,23)
InChIKeyDPNLFDURZQKJNT-UHFFFAOYSA-N
XLogP4.94
TPSA41.99 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500388.95
LogP ≤ 54.94
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-benzylsulfanyl-N-[(S)-phenyl(thiophen-2-yl)methyl]acetamide
CID 9290006
N-[(R)-(4-fluorophenyl)-thiophen-2-ylmethyl]-3-pyridin-3-ylpropanamide
CID 41038604
3-chloro-N-[(S)-(4-chlorophenyl)-thiophen-2-ylmethyl]pyridine-4-carboxamide
CID 99812951
2-benzylsulfanyl-N-[(S)-(4-chlorophenyl)-(1-methylimidazol-2-yl)methyl]acetamide
CID 25338698
4-amino-N-[(4-chlorophenyl)-thiophen-2-ylmethyl]butanamide
CID 119296390
N-[(4-fluorophenyl)-thiophen-2-ylmethyl]-2-(pyridin-2-ylmethylsulfanyl)acetamide
CID 55826845
ethyl 4-[[(R)-(4-chlorophenyl)-thiophen-2-ylmethyl]amino]-4-oxobutanoate
CID 51954482
1-[(4-chlorophenyl)-thiophen-2-ylmethyl]-3-(1-pyridin-4-ylethyl)urea
CID 86999645
N-[(4-chlorophenyl)-thiophen-2-ylmethyl]-4-(5-chlorothiophen-2-yl)-4-oxobutanamide
CID 55750496
N-[4-(2-chlorophenyl)-1,3-thiazol-2-yl]-2-(pyridin-3-ylmethylsulfanyl)acetamide
CID 47029696
3-chloro-N-[(R)-(4-fluorophenyl)-thiophen-2-ylmethyl]pyridine-4-carboxamide
CID 95932121
methyl 3-[2-oxo-2-[[(S)-phenyl(thiophen-2-yl)methyl]amino]ethyl]sulfanylpropanoate
CID 9344511

Frequently Asked Questions

What is the IUPAC name of N-[(4-chlorophenyl)-thiophen-2-ylmethyl]-2-(pyridin-3-ylmethylsulfanyl)acetamide?
The IUPAC name of N-[(4-chlorophenyl)-thiophen-2-ylmethyl]-2-(pyridin-3-ylmethylsulfanyl)acetamide (CID 55751667) is N-[(4-chlorophenyl)-thiophen-2-ylmethyl]-2-(pyridin-3-ylmethylsulfanyl)acetamide.
What is the SMILES notation for N-[(4-chlorophenyl)-thiophen-2-ylmethyl]-2-(pyridin-3-ylmethylsulfanyl)acetamide?
The canonical SMILES for N-[(4-chlorophenyl)-thiophen-2-ylmethyl]-2-(pyridin-3-ylmethylsulfanyl)acetamide is O=C(CSCc1cccnc1)NC(c1ccc(Cl)cc1)c1cccs1.
What is the InChIKey of N-[(4-chlorophenyl)-thiophen-2-ylmethyl]-2-(pyridin-3-ylmethylsulfanyl)acetamide?
The InChIKey is DPNLFDURZQKJNT-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H17ClN2OS2/c20-16-7-5-15(6-8-16)19(17-4-2-10-25-17)22-18(23)13-24-12-14-3-1-9-21-11-14/h1-11,19H,12-13H2,(H,22,23).
What are the key properties of N-[(4-chlorophenyl)-thiophen-2-ylmethyl]-2-(pyridin-3-ylmethylsulfanyl)acetamide?
N-[(4-chlorophenyl)-thiophen-2-ylmethyl]-2-(pyridin-3-ylmethylsulfanyl)acetamide has a molecular weight of 388.95 g/mol, XLogP of 4.94, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(4-chlorophenyl)-thiophen-2-ylmethyl]-2-(pyridin-3-ylmethylsulfanyl)acetamide is sourced from PubChem (CID 55751667), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).