2-(4-chlorophenoxy)-2-methyl-N-[(S)-thiophen-2-yl(thiophen-3-yl)methyl]propanamide

C19H18ClNO2S2 — CID 129354820

IUPAC2-(4-chlorophenoxy)-2-methyl-N-[(S)-thiophen-2-yl(thiophen-3-yl)methyl]propanamide
SMILESCC(C)(Oc1ccc(Cl)cc1)C(=O)N[C@@H](c1ccsc1)c1cccs1
InChIInChI=1S/C19H18ClNO2S2/c1-19(2,23-15-7-5-14(20)6-8-15)18(22)21-17(13-9-11-24-12-13)16-4-3-10-25-16/h3-12,17H,1-2H3,(H,21,22)/t17-/m0/s1
InChIKeyNKPOIUBEOVNAPI-KRWDZBQOSA-N
MW391.95 g/mol
LogP5.53
Rot. Bonds6

About 2-(4-chlorophenoxy)-2-methyl-N-[(S)-thiophen-2-yl(thiophen-3-yl)methyl]propanamide

2-(4-chlorophenoxy)-2-methyl-N-[(S)-thiophen-2-yl(thiophen-3-yl)methyl]propanamide (PubChem CID 129354820) has the molecular formula C19H18ClNO2S2 and a molecular weight of 391.95 g/mol. Its IUPAC name is 2-(4-chlorophenoxy)-2-methyl-N-[(S)-thiophen-2-yl(thiophen-3-yl)methyl]propanamide.

Molecular Properties

Compound Name2-(4-chlorophenoxy)-2-methyl-N-[(S)-thiophen-2-yl(thiophen-3-yl)methyl]propanamide
PubChem CID129354820
Molecular FormulaC19H18ClNO2S2
Molecular Weight391.95 g/mol
Exact Mass391.05
IUPAC Name2-(4-chlorophenoxy)-2-methyl-N-[(S)-thiophen-2-yl(thiophen-3-yl)methyl]propanamide
SMILESCC(C)(Oc1ccc(Cl)cc1)C(=O)N[C@@H](c1ccsc1)c1cccs1
InChIInChI=1S/C19H18ClNO2S2/c1-19(2,23-15-7-5-14(20)6-8-15)18(22)21-17(13-9-11-24-12-13)16-4-3-10-25-16/h3-12,17H,1-2H3,(H,21,22)/t17-/m0/s1
InChIKeyNKPOIUBEOVNAPI-KRWDZBQOSA-N
XLogP5.53
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500391.95
LogP ≤ 55.53
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-(4-chlorophenoxy)-2-methyl-N-[(S)-thiophen-2-yl(thiophen-3-yl)methyl]propanamide?
The IUPAC name of 2-(4-chlorophenoxy)-2-methyl-N-[(S)-thiophen-2-yl(thiophen-3-yl)methyl]propanamide (CID 129354820) is 2-(4-chlorophenoxy)-2-methyl-N-[(S)-thiophen-2-yl(thiophen-3-yl)methyl]propanamide.
What is the SMILES notation for 2-(4-chlorophenoxy)-2-methyl-N-[(S)-thiophen-2-yl(thiophen-3-yl)methyl]propanamide?
The canonical SMILES for 2-(4-chlorophenoxy)-2-methyl-N-[(S)-thiophen-2-yl(thiophen-3-yl)methyl]propanamide is CC(C)(Oc1ccc(Cl)cc1)C(=O)N[C@@H](c1ccsc1)c1cccs1.
What is the InChIKey of 2-(4-chlorophenoxy)-2-methyl-N-[(S)-thiophen-2-yl(thiophen-3-yl)methyl]propanamide?
The InChIKey is NKPOIUBEOVNAPI-KRWDZBQOSA-N. The full InChI is InChI=1S/C19H18ClNO2S2/c1-19(2,23-15-7-5-14(20)6-8-15)18(22)21-17(13-9-11-24-12-13)16-4-3-10-25-16/h3-12,17H,1-2H3,(H,21,22)/t17-/m0/s1.
What are the key properties of 2-(4-chlorophenoxy)-2-methyl-N-[(S)-thiophen-2-yl(thiophen-3-yl)methyl]propanamide?
2-(4-chlorophenoxy)-2-methyl-N-[(S)-thiophen-2-yl(thiophen-3-yl)methyl]propanamide has a molecular weight of 391.95 g/mol, XLogP of 5.53, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-chlorophenoxy)-2-methyl-N-[(S)-thiophen-2-yl(thiophen-3-yl)methyl]propanamide is sourced from PubChem (CID 129354820), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).