5-methyl-N-[2-oxo-2-[2-(4-sulfamoylphenyl)ethylamino]ethyl]thiophene-2-carboxamide

C16H19N3O4S2 — CID 2449456

IUPAC5-methyl-N-[2-oxo-2-[2-(4-sulfamoylphenyl)ethylamino]ethyl]thiophene-2-carboxamide
SMILESCc1ccc(C(=O)NCC(=O)NCCc2ccc(S(N)(=O)=O)cc2)s1
InChIInChI=1S/C16H19N3O4S2/c1-11-2-7-14(24-11)16(21)19-10-15(20)18-9-8-12-3-5-13(6-4-12)25(17,22)23/h2-7H,8-10H2,1H3,(H,18,20)(H,19,21)(H2,17,22,23)
InChIKeyYMANULAJQZDRPN-UHFFFAOYSA-N
MW381.48 g/mol
LogP0.79
Rot. Bonds7

About 5-methyl-N-[2-oxo-2-[2-(4-sulfamoylphenyl)ethylamino]ethyl]thiophene-2-carboxamide

5-methyl-N-[2-oxo-2-[2-(4-sulfamoylphenyl)ethylamino]ethyl]thiophene-2-carboxamide (PubChem CID 2449456) has the molecular formula C16H19N3O4S2 and a molecular weight of 381.48 g/mol. Its IUPAC name is 5-methyl-N-[2-oxo-2-[2-(4-sulfamoylphenyl)ethylamino]ethyl]thiophene-2-carboxamide.

Molecular Properties

Compound Name5-methyl-N-[2-oxo-2-[2-(4-sulfamoylphenyl)ethylamino]ethyl]thiophene-2-carboxamide
PubChem CID2449456
Molecular FormulaC16H19N3O4S2
Molecular Weight381.48 g/mol
Exact Mass381.08
IUPAC Name5-methyl-N-[2-oxo-2-[2-(4-sulfamoylphenyl)ethylamino]ethyl]thiophene-2-carboxamide
SMILESCc1ccc(C(=O)NCC(=O)NCCc2ccc(S(N)(=O)=O)cc2)s1
InChIInChI=1S/C16H19N3O4S2/c1-11-2-7-14(24-11)16(21)19-10-15(20)18-9-8-12-3-5-13(6-4-12)25(17,22)23/h2-7H,8-10H2,1H3,(H,18,20)(H,19,21)(H2,17,22,23)
InChIKeyYMANULAJQZDRPN-UHFFFAOYSA-N
XLogP0.79
TPSA118.36 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500381.48
LogP ≤ 50.79
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Related Compounds

N-(2-(4-(aminosulfonyl)phenyl)ethyl)-2-(2-thienyl)acetamide
CID 670786
N-[(4-sulfamoylphenyl)methyl]-2-thiophen-2-ylacetamide
CID 694792
1-[(3,4-Dimethylphenyl)sulfonyl]-4-(thien-2-ylcarbonyl)piperazine
CID 1262770
2-[ethyl-(4-propan-2-ylphenyl)sulfonylamino]-N-(thiophen-2-ylmethyl)acetamide
CID 2118296
4-(dimethylsulfamoyl)-N-(2-morpholin-4-yl-2-thiophen-2-ylethyl)benzamide
CID 24980274
N-[2-(dimethylamino)-2-phenylethyl]-1-(thiophene-2-carbonyl)pyrrolidine-2-carboxamide
CID 4786487
5-methyl-N-[2-oxo-2-(3-phenylpropylamino)ethyl]thiophene-2-carboxamide
CID 4787702
3-(dimethylsulfamoyl)-N-ethyl-N-[2-oxo-2-(thiophen-2-ylmethylamino)ethyl]benzamide
CID 4788844
3-(2,6-dimethylmorpholin-4-yl)sulfonyl-N-ethyl-N-[2-oxo-2-(thiophen-2-ylmethylamino)ethyl]benzamide
CID 4845856
N-(2-{[2-(4-methylphenyl)ethyl]amino}-2-oxoethyl)thiophene-2-carboxamide
CID 5127938
N-[2-oxo-2-(4-phenylbutan-2-ylamino)ethyl]thiophene-2-carboxamide
CID 18107541
[4-(2,4-Dimethylbenzenesulfonyl)piperazin-1-yl](thiophen-2-yl)methanone
CID 1262775

Frequently Asked Questions

What is the IUPAC name of 5-methyl-N-[2-oxo-2-[2-(4-sulfamoylphenyl)ethylamino]ethyl]thiophene-2-carboxamide?
The IUPAC name of 5-methyl-N-[2-oxo-2-[2-(4-sulfamoylphenyl)ethylamino]ethyl]thiophene-2-carboxamide (CID 2449456) is 5-methyl-N-[2-oxo-2-[2-(4-sulfamoylphenyl)ethylamino]ethyl]thiophene-2-carboxamide.
What is the SMILES notation for 5-methyl-N-[2-oxo-2-[2-(4-sulfamoylphenyl)ethylamino]ethyl]thiophene-2-carboxamide?
The canonical SMILES for 5-methyl-N-[2-oxo-2-[2-(4-sulfamoylphenyl)ethylamino]ethyl]thiophene-2-carboxamide is Cc1ccc(C(=O)NCC(=O)NCCc2ccc(S(N)(=O)=O)cc2)s1.
What is the InChIKey of 5-methyl-N-[2-oxo-2-[2-(4-sulfamoylphenyl)ethylamino]ethyl]thiophene-2-carboxamide?
The InChIKey is YMANULAJQZDRPN-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H19N3O4S2/c1-11-2-7-14(24-11)16(21)19-10-15(20)18-9-8-12-3-5-13(6-4-12)25(17,22)23/h2-7H,8-10H2,1H3,(H,18,20)(H,19,21)(H2,17,22,23).
What are the key properties of 5-methyl-N-[2-oxo-2-[2-(4-sulfamoylphenyl)ethylamino]ethyl]thiophene-2-carboxamide?
5-methyl-N-[2-oxo-2-[2-(4-sulfamoylphenyl)ethylamino]ethyl]thiophene-2-carboxamide has a molecular weight of 381.48 g/mol, XLogP of 0.79, 7 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-methyl-N-[2-oxo-2-[2-(4-sulfamoylphenyl)ethylamino]ethyl]thiophene-2-carboxamide is sourced from PubChem (CID 2449456), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).