2-[(5-chlorothiophen-2-yl)methyl-ethylamino]-N-(4-methyl-3-sulfamoylphenyl)acetamide

C16H20ClN3O3S2 — CID 112796459

IUPAC2-[(5-chlorothiophen-2-yl)methyl-ethylamino]-N-(4-methyl-3-sulfamoylphenyl)acetamide
SMILESCCN(CC(=O)Nc1ccc(C)c(S(N)(=O)=O)c1)Cc1ccc(Cl)s1
InChIInChI=1S/C16H20ClN3O3S2/c1-3-20(9-13-6-7-15(17)24-13)10-16(21)19-12-5-4-11(2)14(8-12)25(18,22)23/h4-8H,3,9-10H2,1-2H3,(H,19,21)(H2,18,22,23)
InChIKeySJWPDPHABPTJHR-UHFFFAOYSA-N
MW401.94 g/mol
LogP2.82
Rot. Bonds7

About 2-[(5-chlorothiophen-2-yl)methyl-ethylamino]-N-(4-methyl-3-sulfamoylphenyl)acetamide

2-[(5-chlorothiophen-2-yl)methyl-ethylamino]-N-(4-methyl-3-sulfamoylphenyl)acetamide (PubChem CID 112796459) has the molecular formula C16H20ClN3O3S2 and a molecular weight of 401.94 g/mol. Its IUPAC name is 2-[(5-chlorothiophen-2-yl)methyl-ethylamino]-N-(4-methyl-3-sulfamoylphenyl)acetamide.

Molecular Properties

Compound Name2-[(5-chlorothiophen-2-yl)methyl-ethylamino]-N-(4-methyl-3-sulfamoylphenyl)acetamide
PubChem CID112796459
Molecular FormulaC16H20ClN3O3S2
Molecular Weight401.94 g/mol
Exact Mass401.06
IUPAC Name2-[(5-chlorothiophen-2-yl)methyl-ethylamino]-N-(4-methyl-3-sulfamoylphenyl)acetamide
SMILESCCN(CC(=O)Nc1ccc(C)c(S(N)(=O)=O)c1)Cc1ccc(Cl)s1
InChIInChI=1S/C16H20ClN3O3S2/c1-3-20(9-13-6-7-15(17)24-13)10-16(21)19-12-5-4-11(2)14(8-12)25(18,22)23/h4-8H,3,9-10H2,1-2H3,(H,19,21)(H2,18,22,23)
InChIKeySJWPDPHABPTJHR-UHFFFAOYSA-N
XLogP2.82
TPSA92.50 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500401.94
LogP ≤ 52.82
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

2-[benzyl(ethyl)amino]-N-[3-(diethylsulfamoyl)-4-methylphenyl]acetamide
CID 8541301
2-[(5-chlorothiophen-2-yl)methyl-ethylamino]-N-prop-2-ynylacetamide
CID 27072038
2-[(5-chlorothiophen-2-yl)methyl-ethylamino]-N-(2,2,2-trifluoroethylcarbamoyl)acetamide
CID 26625829
2-[(5-chlorothiophen-2-yl)methyl-ethylamino]-N-[2-(3-methylphenoxy)ethyl]acetamide
CID 26517660
2-(5-chloro-6-oxopyridazin-1-yl)-N-(4-methyl-3-sulfamoylphenyl)acetamide
CID 155804497
4-[[2-[(5-chlorothiophen-2-yl)methyl-prop-2-enylamino]acetyl]amino]-N,N-diethylbenzamide
CID 9298098
2-[(5-chlorothiophen-2-yl)methyl-ethylamino]-N-methyl-N-propan-2-ylacetamide
CID 86908502
N-(4-methyl-3-sulfamoylphenyl)-2-thiophen-2-ylacetamide
CID 9140832
2-[[2-(3-chloro-4-methylanilino)-2-oxoethyl]-ethylamino]-N-(2,3-dihydro-1,4-benzodioxin-6-yl)acetamide
CID 9030490
3-[[2-[(5-chlorothiophen-2-yl)methyl-prop-2-enylamino]acetyl]amino]-N,N-diethylbenzamide
CID 8694053
3,3,3-trifluoro-N-(4-methyl-3-sulfamoylphenyl)propanamide
CID 47155694
N-(4-methyl-3-sulfamoylphenyl)-3-propoxypropanamide
CID 62716850

Frequently Asked Questions

What is the IUPAC name of 2-[(5-chlorothiophen-2-yl)methyl-ethylamino]-N-(4-methyl-3-sulfamoylphenyl)acetamide?
The IUPAC name of 2-[(5-chlorothiophen-2-yl)methyl-ethylamino]-N-(4-methyl-3-sulfamoylphenyl)acetamide (CID 112796459) is 2-[(5-chlorothiophen-2-yl)methyl-ethylamino]-N-(4-methyl-3-sulfamoylphenyl)acetamide.
What is the SMILES notation for 2-[(5-chlorothiophen-2-yl)methyl-ethylamino]-N-(4-methyl-3-sulfamoylphenyl)acetamide?
The canonical SMILES for 2-[(5-chlorothiophen-2-yl)methyl-ethylamino]-N-(4-methyl-3-sulfamoylphenyl)acetamide is CCN(CC(=O)Nc1ccc(C)c(S(N)(=O)=O)c1)Cc1ccc(Cl)s1.
What is the InChIKey of 2-[(5-chlorothiophen-2-yl)methyl-ethylamino]-N-(4-methyl-3-sulfamoylphenyl)acetamide?
The InChIKey is SJWPDPHABPTJHR-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H20ClN3O3S2/c1-3-20(9-13-6-7-15(17)24-13)10-16(21)19-12-5-4-11(2)14(8-12)25(18,22)23/h4-8H,3,9-10H2,1-2H3,(H,19,21)(H2,18,22,23).
What are the key properties of 2-[(5-chlorothiophen-2-yl)methyl-ethylamino]-N-(4-methyl-3-sulfamoylphenyl)acetamide?
2-[(5-chlorothiophen-2-yl)methyl-ethylamino]-N-(4-methyl-3-sulfamoylphenyl)acetamide has a molecular weight of 401.94 g/mol, XLogP of 2.82, 7 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-ethylamino]-N-(4-methyl-3-sulfamoylphenyl)acetamide is sourced from PubChem (CID 112796459), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).