(5-chlorothiophen-2-yl)methyl-methyl-[[4-(phenylcarbamoyl)phenyl]methyl]azanium

C20H20ClN2OS+ — CID 8556053

IUPAC(5-chlorothiophen-2-yl)methyl-methyl-[[4-(phenylcarbamoyl)phenyl]methyl]azanium
SMILESC[NH+](Cc1ccc(C(=O)Nc2ccccc2)cc1)Cc1ccc(Cl)s1
InChIInChI=1S/C20H19ClN2OS/c1-23(14-18-11-12-19(21)25-18)13-15-7-9-16(10-8-15)20(24)22-17-5-3-2-4-6-17/h2-12H,13-14H2,1H3,(H,22,24)/p+1
InChIKeyMAIFPVPSKGWEEC-UHFFFAOYSA-O
MW371.91 g/mol
LogP3.87
Rot. Bonds6

About (5-chlorothiophen-2-yl)methyl-methyl-[[4-(phenylcarbamoyl)phenyl]methyl]azanium

(5-chlorothiophen-2-yl)methyl-methyl-[[4-(phenylcarbamoyl)phenyl]methyl]azanium (PubChem CID 8556053) has the molecular formula C20H20ClN2OS+ and a molecular weight of 371.91 g/mol. Its IUPAC name is (5-chlorothiophen-2-yl)methyl-methyl-[[4-(phenylcarbamoyl)phenyl]methyl]azanium.

Molecular Properties

Compound Name(5-chlorothiophen-2-yl)methyl-methyl-[[4-(phenylcarbamoyl)phenyl]methyl]azanium
PubChem CID8556053
Molecular FormulaC20H20ClN2OS+
Molecular Weight371.91 g/mol
Exact Mass371.10
IUPAC Name(5-chlorothiophen-2-yl)methyl-methyl-[[4-(phenylcarbamoyl)phenyl]methyl]azanium
SMILESC[NH+](Cc1ccc(C(=O)Nc2ccccc2)cc1)Cc1ccc(Cl)s1
InChIInChI=1S/C20H19ClN2OS/c1-23(14-18-11-12-19(21)25-18)13-15-7-9-16(10-8-15)20(24)22-17-5-3-2-4-6-17/h2-12H,13-14H2,1H3,(H,22,24)/p+1
InChIKeyMAIFPVPSKGWEEC-UHFFFAOYSA-O
XLogP3.87
TPSA33.54 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500371.91
LogP ≤ 53.87
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

methyl-[2-oxo-2-(propan-2-ylamino)ethyl]-[[4-(phenylcarbamoyl)phenyl]methyl]azanium
CID 9050173
[2-(diethylamino)-2-oxoethyl]-methyl-[[4-(phenylcarbamoyl)phenyl]methyl]azanium
CID 8692818
(5-chlorothiophen-2-yl)methyl-[(1,3-dioxoisoindol-2-yl)methyl]-methylazanium
CID 9171711
2-[(5-chlorothiophen-2-yl)methyl-methylamino]-N-phenylacetamide
CID 9294194
(5-chlorothiophen-2-yl)methyl-methyl-[2-oxo-2-(2-phenoxyanilino)ethyl]azanium
CID 9294082
N-phenyl-4-[(E)-3-[4-(phenylcarbamoyl)phenyl]but-2-en-2-yl]benzamide
CID 118602038
N-(4-ethylphenyl)benzamide
CID 774063
N-[4-(sulfanylmethyl)phenyl]benzamide
CID 130322927
4-[4-(aminomethyl)phenyl]-N-phenylbenzamide
CID 91665672
ethane;N-phenyl-4-phenyldiazenylbenzamide
CID 159586308
N-(4-anilinophenyl)-4-chlorobenzamide
CID 681104
4-(2-amino-2-sulfanylideneethyl)-N-phenylbenzamide
CID 82179511

Frequently Asked Questions

What is the IUPAC name of (5-chlorothiophen-2-yl)methyl-methyl-[[4-(phenylcarbamoyl)phenyl]methyl]azanium?
The IUPAC name of (5-chlorothiophen-2-yl)methyl-methyl-[[4-(phenylcarbamoyl)phenyl]methyl]azanium (CID 8556053) is (5-chlorothiophen-2-yl)methyl-methyl-[[4-(phenylcarbamoyl)phenyl]methyl]azanium.
What is the SMILES notation for (5-chlorothiophen-2-yl)methyl-methyl-[[4-(phenylcarbamoyl)phenyl]methyl]azanium?
The canonical SMILES for (5-chlorothiophen-2-yl)methyl-methyl-[[4-(phenylcarbamoyl)phenyl]methyl]azanium is C[NH+](Cc1ccc(C(=O)Nc2ccccc2)cc1)Cc1ccc(Cl)s1.
What is the InChIKey of (5-chlorothiophen-2-yl)methyl-methyl-[[4-(phenylcarbamoyl)phenyl]methyl]azanium?
The InChIKey is MAIFPVPSKGWEEC-UHFFFAOYSA-O. The full InChI is InChI=1S/C20H19ClN2OS/c1-23(14-18-11-12-19(21)25-18)13-15-7-9-16(10-8-15)20(24)22-17-5-3-2-4-6-17/h2-12H,13-14H2,1H3,(H,22,24)/p+1.
What are the key properties of (5-chlorothiophen-2-yl)methyl-methyl-[[4-(phenylcarbamoyl)phenyl]methyl]azanium?
(5-chlorothiophen-2-yl)methyl-methyl-[[4-(phenylcarbamoyl)phenyl]methyl]azanium has a molecular weight of 371.91 g/mol, XLogP of 3.87, 6 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (5-chlorothiophen-2-yl)methyl-methyl-[[4-(phenylcarbamoyl)phenyl]methyl]azanium is sourced from PubChem (CID 8556053), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).