2-[(5-chlorothiophen-2-yl)methyl-methylamino]-N-(thiophen-2-ylmethylcarbamoyl)acetamide

C14H16ClN3O2S2 — CID 40741355

IUPAC2-[(5-chlorothiophen-2-yl)methyl-methylamino]-N-(thiophen-2-ylmethylcarbamoyl)acetamide
SMILESCN(CC(=O)NC(=O)NCc1cccs1)Cc1ccc(Cl)s1
InChIInChI=1S/C14H16ClN3O2S2/c1-18(8-11-4-5-12(15)22-11)9-13(19)17-14(20)16-7-10-3-2-6-21-10/h2-6H,7-9H2,1H3,(H2,16,17,19,20)
InChIKeyPRDYSOJNCNVJTM-UHFFFAOYSA-N
MW357.89 g/mol
LogP2.92
Rot. Bonds6

About 2-[(5-chlorothiophen-2-yl)methyl-methylamino]-N-(thiophen-2-ylmethylcarbamoyl)acetamide

2-[(5-chlorothiophen-2-yl)methyl-methylamino]-N-(thiophen-2-ylmethylcarbamoyl)acetamide (PubChem CID 40741355) has the molecular formula C14H16ClN3O2S2 and a molecular weight of 357.89 g/mol. Its IUPAC name is 2-[(5-chlorothiophen-2-yl)methyl-methylamino]-N-(thiophen-2-ylmethylcarbamoyl)acetamide.

Molecular Properties

Compound Name2-[(5-chlorothiophen-2-yl)methyl-methylamino]-N-(thiophen-2-ylmethylcarbamoyl)acetamide
PubChem CID40741355
Molecular FormulaC14H16ClN3O2S2
Molecular Weight357.89 g/mol
Exact Mass357.04
IUPAC Name2-[(5-chlorothiophen-2-yl)methyl-methylamino]-N-(thiophen-2-ylmethylcarbamoyl)acetamide
SMILESCN(CC(=O)NC(=O)NCc1cccs1)Cc1ccc(Cl)s1
InChIInChI=1S/C14H16ClN3O2S2/c1-18(8-11-4-5-12(15)22-11)9-13(19)17-14(20)16-7-10-3-2-6-21-10/h2-6H,7-9H2,1H3,(H2,16,17,19,20)
InChIKeyPRDYSOJNCNVJTM-UHFFFAOYSA-N
XLogP2.92
TPSA61.44 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500357.89
LogP ≤ 52.92
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

N-(2,6-dichlorophenyl)-2-[methyl-[2-oxo-2-(thiophen-2-ylmethylcarbamoylamino)ethyl]amino]acetamide
CID 55432120
2-[(2,3-dichlorophenyl)methyl-methylamino]-N-(thiophen-2-ylmethylcarbamoyl)acetamide
CID 40761111
2-[(5-bromofuran-2-yl)methyl-methylamino]-N-(thiophen-2-ylmethylcarbamoyl)acetamide
CID 37422554
2-[(2-chloro-5-nitrophenyl)methyl-methylamino]-N-(thiophen-2-ylmethylcarbamoyl)acetamide
CID 24682256
2-[(4,5-dimethoxy-2-methylphenyl)methyl-methylamino]-N-(thiophen-2-ylmethylcarbamoyl)acetamide
CID 9460688
2-[methyl-[(4-prop-2-enoxyphenyl)methyl]amino]-N-(thiophen-2-ylmethylcarbamoyl)acetamide
CID 40760677
2-(dipropylamino)-N-(thiophen-2-ylmethylcarbamoyl)acetamide
CID 34600944
2-[(5-chlorothiophen-2-yl)methyl-methylamino]-N-phenylacetamide
CID 9294194
2-[(5-chlorothiophen-2-yl)methyl-methylamino]-N-(2-methylpropyl)acetamide
CID 78793300
N-tert-butyl-2-[(5-chlorothiophen-2-yl)methyl-methylamino]acetamide
CID 51223592
2-[(2-amino-1,3-thiazol-5-yl)methyl-methylamino]-N-(thiophen-2-ylmethyl)acetamide
CID 120900523
2-[2-(2-fluorophenoxy)ethyl-methylamino]-N-(thiophen-2-ylmethylcarbamoyl)acetamide
CID 26387450

Frequently Asked Questions

What is the IUPAC name of 2-[(5-chlorothiophen-2-yl)methyl-methylamino]-N-(thiophen-2-ylmethylcarbamoyl)acetamide?
The IUPAC name of 2-[(5-chlorothiophen-2-yl)methyl-methylamino]-N-(thiophen-2-ylmethylcarbamoyl)acetamide (CID 40741355) is 2-[(5-chlorothiophen-2-yl)methyl-methylamino]-N-(thiophen-2-ylmethylcarbamoyl)acetamide.
What is the SMILES notation for 2-[(5-chlorothiophen-2-yl)methyl-methylamino]-N-(thiophen-2-ylmethylcarbamoyl)acetamide?
The canonical SMILES for 2-[(5-chlorothiophen-2-yl)methyl-methylamino]-N-(thiophen-2-ylmethylcarbamoyl)acetamide is CN(CC(=O)NC(=O)NCc1cccs1)Cc1ccc(Cl)s1.
What is the InChIKey of 2-[(5-chlorothiophen-2-yl)methyl-methylamino]-N-(thiophen-2-ylmethylcarbamoyl)acetamide?
The InChIKey is PRDYSOJNCNVJTM-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H16ClN3O2S2/c1-18(8-11-4-5-12(15)22-11)9-13(19)17-14(20)16-7-10-3-2-6-21-10/h2-6H,7-9H2,1H3,(H2,16,17,19,20).
What are the key properties of 2-[(5-chlorothiophen-2-yl)methyl-methylamino]-N-(thiophen-2-ylmethylcarbamoyl)acetamide?
2-[(5-chlorothiophen-2-yl)methyl-methylamino]-N-(thiophen-2-ylmethylcarbamoyl)acetamide has a molecular weight of 357.89 g/mol, XLogP of 2.92, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(5-chlorothiophen-2-yl)methyl-methylamino]-N-(thiophen-2-ylmethylcarbamoyl)acetamide is sourced from PubChem (CID 40741355), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).