2-[2-[[(5-chlorothiophen-2-yl)methyl-ethylcarbamoyl]amino]-5-methylphenoxy]-N,N-dimethylacetamide

C19H24ClN3O3S — CID 60577691

IUPAC2-[2-[[(5-chlorothiophen-2-yl)methyl-ethylcarbamoyl]amino]-5-methylphenoxy]-N,N-dimethylacetamide
SMILESCCN(Cc1ccc(Cl)s1)C(=O)Nc1ccc(C)cc1OCC(=O)N(C)C
InChIInChI=1S/C19H24ClN3O3S/c1-5-23(11-14-7-9-17(20)27-14)19(25)21-15-8-6-13(2)10-16(15)26-12-18(24)22(3)4/h6-10H,5,11-12H2,1-4H3,(H,21,25)
InChIKeyYPBIQUQGGMMKOT-UHFFFAOYSA-N
MW409.94 g/mol
LogP4.23
Rot. Bonds7

About 2-[2-[[(5-chlorothiophen-2-yl)methyl-ethylcarbamoyl]amino]-5-methylphenoxy]-N,N-dimethylacetamide

2-[2-[[(5-chlorothiophen-2-yl)methyl-ethylcarbamoyl]amino]-5-methylphenoxy]-N,N-dimethylacetamide (PubChem CID 60577691) has the molecular formula C19H24ClN3O3S and a molecular weight of 409.94 g/mol. Its IUPAC name is 2-[2-[[(5-chlorothiophen-2-yl)methyl-ethylcarbamoyl]amino]-5-methylphenoxy]-N,N-dimethylacetamide.

Molecular Properties

Compound Name2-[2-[[(5-chlorothiophen-2-yl)methyl-ethylcarbamoyl]amino]-5-methylphenoxy]-N,N-dimethylacetamide
PubChem CID60577691
Molecular FormulaC19H24ClN3O3S
Molecular Weight409.94 g/mol
Exact Mass409.12
IUPAC Name2-[2-[[(5-chlorothiophen-2-yl)methyl-ethylcarbamoyl]amino]-5-methylphenoxy]-N,N-dimethylacetamide
SMILESCCN(Cc1ccc(Cl)s1)C(=O)Nc1ccc(C)cc1OCC(=O)N(C)C
InChIInChI=1S/C19H24ClN3O3S/c1-5-23(11-14-7-9-17(20)27-14)19(25)21-15-8-6-13(2)10-16(15)26-12-18(24)22(3)4/h6-10H,5,11-12H2,1-4H3,(H,21,25)
InChIKeyYPBIQUQGGMMKOT-UHFFFAOYSA-N
XLogP4.23
TPSA61.88 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500409.94
LogP ≤ 54.23
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 2-[2-[[(5-chlorothiophen-2-yl)methyl-ethylcarbamoyl]amino]-5-methylphenoxy]-N,N-dimethylacetamide with MolForge

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Related Compounds

2-[2-[[benzyl-[2-(dimethylamino)ethyl]carbamoyl]amino]-5-methylphenoxy]-N,N-dimethylacetamide
CID 60577692
3-(2-chloro-4-methoxyphenyl)-1-[(5-chlorothiophen-2-yl)methyl]-1-ethylurea
CID 86862833
1-[(5-chlorothiophen-2-yl)methyl]-3-[2-(ethoxymethyl)phenyl]-1-ethylurea
CID 60562675
cis-(1S,2R)-2-[[2-[2-(dimethylamino)-2-oxoethoxy]-4-methylphenyl]carbamoyl]cyclopropane-1-carboxylic acid
CID 146106643
N-[(5-chlorothiophen-2-yl)methyl]-2-ethoxy-N-ethylacetamide
CID 60721620
1-[(5-chlorothiophen-2-yl)methyl]-3-[8-(difluoromethoxy)quinolin-5-yl]-1-ethylurea
CID 60553928
N-[(5-chlorothiophen-2-yl)methyl]-N-methyl-2-(4-methylphenoxy)acetamide
CID 78791448
2-[4-[(5-chlorothiophen-2-yl)methyl-ethylcarbamoyl]-2-ethoxyphenoxy]acetic acid
CID 119179644
1-[(5-chlorothiophen-2-yl)methyl]-3-[2-(difluoromethoxy)-6-methylphenyl]-1-ethylurea
CID 56557090
2-[2-[[4-(hydroxymethyl)phenyl]methylamino]-5-methylphenoxy]-N,N-dimethylacetamide
CID 110006577
2-(3-chloro-4-fluorophenoxy)-N-[(5-chlorothiophen-2-yl)methyl]-N-ethylacetamide
CID 55397253
7-amino-N-[2-[2-(dimethylamino)-2-oxoethoxy]-4-methylphenyl]heptanamide;hydrochloride
CID 119746942

Frequently Asked Questions

What is the IUPAC name of 2-[2-[[(5-chlorothiophen-2-yl)methyl-ethylcarbamoyl]amino]-5-methylphenoxy]-N,N-dimethylacetamide?
The IUPAC name of 2-[2-[[(5-chlorothiophen-2-yl)methyl-ethylcarbamoyl]amino]-5-methylphenoxy]-N,N-dimethylacetamide (CID 60577691) is 2-[2-[[(5-chlorothiophen-2-yl)methyl-ethylcarbamoyl]amino]-5-methylphenoxy]-N,N-dimethylacetamide.
What is the SMILES notation for 2-[2-[[(5-chlorothiophen-2-yl)methyl-ethylcarbamoyl]amino]-5-methylphenoxy]-N,N-dimethylacetamide?
The canonical SMILES for 2-[2-[[(5-chlorothiophen-2-yl)methyl-ethylcarbamoyl]amino]-5-methylphenoxy]-N,N-dimethylacetamide is CCN(Cc1ccc(Cl)s1)C(=O)Nc1ccc(C)cc1OCC(=O)N(C)C.
What is the InChIKey of 2-[2-[[(5-chlorothiophen-2-yl)methyl-ethylcarbamoyl]amino]-5-methylphenoxy]-N,N-dimethylacetamide?
The InChIKey is YPBIQUQGGMMKOT-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H24ClN3O3S/c1-5-23(11-14-7-9-17(20)27-14)19(25)21-15-8-6-13(2)10-16(15)26-12-18(24)22(3)4/h6-10H,5,11-12H2,1-4H3,(H,21,25).
What are the key properties of 2-[2-[[(5-chlorothiophen-2-yl)methyl-ethylcarbamoyl]amino]-5-methylphenoxy]-N,N-dimethylacetamide?
2-[2-[[(5-chlorothiophen-2-yl)methyl-ethylcarbamoyl]amino]-5-methylphenoxy]-N,N-dimethylacetamide has a molecular weight of 409.94 g/mol, XLogP of 4.23, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-[[(5-chlorothiophen-2-yl)methyl-ethylcarbamoyl]amino]-5-methylphenoxy]-N,N-dimethylacetamide is sourced from PubChem (CID 60577691), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).