N-[2-(4-acetamido-N-methylsulfonylanilino)ethyl]thiophene-2-carboxamide

C16H19N3O4S2 — CID 113071113

IUPACN-[2-(4-acetamido-N-methylsulfonylanilino)ethyl]thiophene-2-carboxamide
SMILESCC(=O)Nc1ccc(N(CCNC(=O)c2cccs2)S(C)(=O)=O)cc1
InChIInChI=1S/C16H19N3O4S2/c1-12(20)18-13-5-7-14(8-6-13)19(25(2,22)23)10-9-17-16(21)15-4-3-11-24-15/h3-8,11H,9-10H2,1-2H3,(H,17,21)(H,18,20)
InChIKeyBIIVRLHSEMNSJU-UHFFFAOYSA-N
MW381.48 g/mol
LogP1.90
Rot. Bonds7

About N-[2-(4-acetamido-N-methylsulfonylanilino)ethyl]thiophene-2-carboxamide

N-[2-(4-acetamido-N-methylsulfonylanilino)ethyl]thiophene-2-carboxamide (PubChem CID 113071113) has the molecular formula C16H19N3O4S2 and a molecular weight of 381.48 g/mol. Its IUPAC name is N-[2-(4-acetamido-N-methylsulfonylanilino)ethyl]thiophene-2-carboxamide.

Molecular Properties

Compound NameN-[2-(4-acetamido-N-methylsulfonylanilino)ethyl]thiophene-2-carboxamide
PubChem CID113071113
Molecular FormulaC16H19N3O4S2
Molecular Weight381.48 g/mol
Exact Mass381.08
IUPAC NameN-[2-(4-acetamido-N-methylsulfonylanilino)ethyl]thiophene-2-carboxamide
SMILESCC(=O)Nc1ccc(N(CCNC(=O)c2cccs2)S(C)(=O)=O)cc1
InChIInChI=1S/C16H19N3O4S2/c1-12(20)18-13-5-7-14(8-6-13)19(25(2,22)23)10-9-17-16(21)15-4-3-11-24-15/h3-8,11H,9-10H2,1-2H3,(H,17,21)(H,18,20)
InChIKeyBIIVRLHSEMNSJU-UHFFFAOYSA-N
XLogP1.90
TPSA95.58 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500381.48
LogP ≤ 51.90
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

N-[2-(2-fluoro-N-methylsulfonylanilino)ethyl]thiophene-2-carboxamide
CID 113069660
N-[2-(3-chloro-4-methoxy-N-methylsulfonylanilino)ethyl]thiophene-2-carboxamide
CID 113070260
N-[3-(4-acetamidoanilino)-3-oxopropyl]thiophene-2-carboxamide
CID 27648785
N-[2-(3-chloro-2-methyl-N-methylsulfonylanilino)ethyl]thiophene-2-carboxamide
CID 113069987
N-[2-(3-acetamido-N-methylsulfonylanilino)ethyl]-2-thiophen-2-ylacetamide
CID 113071084
N-[3-(4-methylsulfonylanilino)-3-oxopropyl]thiophene-2-carboxamide
CID 18191008
N-[2-[4-(diethylamino)-N-methylsulfonylanilino]ethyl]acetamide
CID 113071325
N-[2-(N-acetylanilino)ethyl]thiophene-2-carboxamide
CID 113057163
1-[2-(N-methylsulfonylanilino)ethyl]-3-phenylurea
CID 113068475
N-[2-(4-acetyl-N-methylsulfonylanilino)ethyl]benzamide
CID 113071023
N-[2-[acetyl(cyclopentyl)amino]ethyl]thiophene-2-carboxamide
CID 113052781
N-[2-[(2-fluorophenyl)methyl-methylsulfonylamino]ethyl]thiophene-2-carboxamide
CID 113066889

Frequently Asked Questions

What is the IUPAC name of N-[2-(4-acetamido-N-methylsulfonylanilino)ethyl]thiophene-2-carboxamide?
The IUPAC name of N-[2-(4-acetamido-N-methylsulfonylanilino)ethyl]thiophene-2-carboxamide (CID 113071113) is N-[2-(4-acetamido-N-methylsulfonylanilino)ethyl]thiophene-2-carboxamide.
What is the SMILES notation for N-[2-(4-acetamido-N-methylsulfonylanilino)ethyl]thiophene-2-carboxamide?
The canonical SMILES for N-[2-(4-acetamido-N-methylsulfonylanilino)ethyl]thiophene-2-carboxamide is CC(=O)Nc1ccc(N(CCNC(=O)c2cccs2)S(C)(=O)=O)cc1.
What is the InChIKey of N-[2-(4-acetamido-N-methylsulfonylanilino)ethyl]thiophene-2-carboxamide?
The InChIKey is BIIVRLHSEMNSJU-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H19N3O4S2/c1-12(20)18-13-5-7-14(8-6-13)19(25(2,22)23)10-9-17-16(21)15-4-3-11-24-15/h3-8,11H,9-10H2,1-2H3,(H,17,21)(H,18,20).
What are the key properties of N-[2-(4-acetamido-N-methylsulfonylanilino)ethyl]thiophene-2-carboxamide?
N-[2-(4-acetamido-N-methylsulfonylanilino)ethyl]thiophene-2-carboxamide has a molecular weight of 381.48 g/mol, XLogP of 1.90, 7 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(4-acetamido-N-methylsulfonylanilino)ethyl]thiophene-2-carboxamide is sourced from PubChem (CID 113071113), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).