N-[2-(butylamino)-5-(diethylsulfamoyl)phenyl]thiophene-3-carboxamide

C19H27N3O3S2 — CID 25332874

IUPACN-[2-(butylamino)-5-(diethylsulfamoyl)phenyl]thiophene-3-carboxamide
SMILESCCCCNc1ccc(S(=O)(=O)N(CC)CC)cc1NC(=O)c1ccsc1
InChIInChI=1S/C19H27N3O3S2/c1-4-7-11-20-17-9-8-16(27(24,25)22(5-2)6-3)13-18(17)21-19(23)15-10-12-26-14-15/h8-10,12-14,20H,4-7,11H2,1-3H3,(H,21,23)
InChIKeyUBFOEADWFLMSDC-UHFFFAOYSA-N
MW409.58 g/mol
LogP4.24
Rot. Bonds10

About N-[2-(butylamino)-5-(diethylsulfamoyl)phenyl]thiophene-3-carboxamide

N-[2-(butylamino)-5-(diethylsulfamoyl)phenyl]thiophene-3-carboxamide (PubChem CID 25332874) has the molecular formula C19H27N3O3S2 and a molecular weight of 409.58 g/mol. Its IUPAC name is N-[2-(butylamino)-5-(diethylsulfamoyl)phenyl]thiophene-3-carboxamide.

Molecular Properties

Compound NameN-[2-(butylamino)-5-(diethylsulfamoyl)phenyl]thiophene-3-carboxamide
PubChem CID25332874
Molecular FormulaC19H27N3O3S2
Molecular Weight409.58 g/mol
Exact Mass409.15
IUPAC NameN-[2-(butylamino)-5-(diethylsulfamoyl)phenyl]thiophene-3-carboxamide
SMILESCCCCNc1ccc(S(=O)(=O)N(CC)CC)cc1NC(=O)c1ccsc1
InChIInChI=1S/C19H27N3O3S2/c1-4-7-11-20-17-9-8-16(27(24,25)22(5-2)6-3)13-18(17)21-19(23)15-10-12-26-14-15/h8-10,12-14,20H,4-7,11H2,1-3H3,(H,21,23)
InChIKeyUBFOEADWFLMSDC-UHFFFAOYSA-N
XLogP4.24
TPSA78.51 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds10
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500409.58
LogP ≤ 54.24
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

N-[5-(diethylsulfamoyl)-2-propan-2-yloxyphenyl]thiophene-3-carboxamide
CID 17470180
N-[5-(diethylsulfamoyl)-2-(propylamino)phenyl]-6-methylpyridine-3-carboxamide
CID 25332105
N-[4-[2-(diethylamino)-5-(diethylsulfamoyl)anilino]-4-oxobutyl]thiophene-3-carboxamide
CID 43029748
4-amino-N-[5-(diethylsulfamoyl)-2-(ethylamino)phenyl]benzamide
CID 119680565
2-[2-(butylamino)-5-(diethylsulfamoyl)anilino]-N-(3-methylphenyl)acetamide
CID 26439552
N-[5-(diethylsulfamoyl)-2-(propylamino)phenyl]-2-(methylamino)acetamide;hydrochloride
CID 119685367
N-[2-(butylamino)-5-(dimethylsulfamoyl)phenyl]-5-chloro-2-fluorobenzamide
CID 25335972
ethyl 2-[[2-[2-(butylamino)-5-(diethylsulfamoyl)anilino]acetyl]amino]-5-ethyl-4-methylthiophene-3-carboxylate
CID 3981713
2-[2-(butylamino)-5-(diethylsulfamoyl)anilino]-N-[(2-fluorophenyl)carbamoyl]acetamide
CID 24510804
N-[3-[2-[3-(diethylsulfamoyl)benzoyl]hydrazinyl]-3-oxopropyl]thiophene-3-carboxamide
CID 30452714
N-[5-(diethylsulfamoyl)-2-(ethylamino)phenyl]-2,4-dimethylbenzamide
CID 78848190
N-[5-(diethylsulfamoyl)-2-hydroxyphenyl]-2-thiophen-3-ylacetamide
CID 17421204

Frequently Asked Questions

What is the IUPAC name of N-[2-(butylamino)-5-(diethylsulfamoyl)phenyl]thiophene-3-carboxamide?
The IUPAC name of N-[2-(butylamino)-5-(diethylsulfamoyl)phenyl]thiophene-3-carboxamide (CID 25332874) is N-[2-(butylamino)-5-(diethylsulfamoyl)phenyl]thiophene-3-carboxamide.
What is the SMILES notation for N-[2-(butylamino)-5-(diethylsulfamoyl)phenyl]thiophene-3-carboxamide?
The canonical SMILES for N-[2-(butylamino)-5-(diethylsulfamoyl)phenyl]thiophene-3-carboxamide is CCCCNc1ccc(S(=O)(=O)N(CC)CC)cc1NC(=O)c1ccsc1.
What is the InChIKey of N-[2-(butylamino)-5-(diethylsulfamoyl)phenyl]thiophene-3-carboxamide?
The InChIKey is UBFOEADWFLMSDC-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H27N3O3S2/c1-4-7-11-20-17-9-8-16(27(24,25)22(5-2)6-3)13-18(17)21-19(23)15-10-12-26-14-15/h8-10,12-14,20H,4-7,11H2,1-3H3,(H,21,23).
What are the key properties of N-[2-(butylamino)-5-(diethylsulfamoyl)phenyl]thiophene-3-carboxamide?
N-[2-(butylamino)-5-(diethylsulfamoyl)phenyl]thiophene-3-carboxamide has a molecular weight of 409.58 g/mol, XLogP of 4.24, 10 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(butylamino)-5-(diethylsulfamoyl)phenyl]thiophene-3-carboxamide is sourced from PubChem (CID 25332874), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).