N-[2-[5-(4-aminobutylsulfamoyl)thiophen-2-yl]ethyl]-2,2-dimethylpropanamide

C15H27N3O3S2 — CID 120583485

IUPACN-[2-[5-(4-aminobutylsulfamoyl)thiophen-2-yl]ethyl]-2,2-dimethylpropanamide
SMILESCC(C)(C)C(=O)NCCc1ccc(S(=O)(=O)NCCCCN)s1
InChIInChI=1S/C15H27N3O3S2/c1-15(2,3)14(19)17-11-8-12-6-7-13(22-12)23(20,21)18-10-5-4-9-16/h6-7,18H,4-5,8-11,16H2,1-3H3,(H,17,19)
InChIKeyNSQPNPJMPPOAQW-UHFFFAOYSA-N
MW361.53 g/mol
LogP1.47
Rot. Bonds9

About N-[2-[5-(4-aminobutylsulfamoyl)thiophen-2-yl]ethyl]-2,2-dimethylpropanamide

N-[2-[5-(4-aminobutylsulfamoyl)thiophen-2-yl]ethyl]-2,2-dimethylpropanamide (PubChem CID 120583485) has the molecular formula C15H27N3O3S2 and a molecular weight of 361.53 g/mol. Its IUPAC name is N-[2-[5-(4-aminobutylsulfamoyl)thiophen-2-yl]ethyl]-2,2-dimethylpropanamide.

Molecular Properties

Compound NameN-[2-[5-(4-aminobutylsulfamoyl)thiophen-2-yl]ethyl]-2,2-dimethylpropanamide
PubChem CID120583485
Molecular FormulaC15H27N3O3S2
Molecular Weight361.53 g/mol
Exact Mass361.15
IUPAC NameN-[2-[5-(4-aminobutylsulfamoyl)thiophen-2-yl]ethyl]-2,2-dimethylpropanamide
SMILESCC(C)(C)C(=O)NCCc1ccc(S(=O)(=O)NCCCCN)s1
InChIInChI=1S/C15H27N3O3S2/c1-15(2,3)14(19)17-11-8-12-6-7-13(22-12)23(20,21)18-10-5-4-9-16/h6-7,18H,4-5,8-11,16H2,1-3H3,(H,17,19)
InChIKeyNSQPNPJMPPOAQW-UHFFFAOYSA-N
XLogP1.47
TPSA101.29 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds9
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500361.53
LogP ≤ 51.47
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

2,2-dimethyl-N-[2-[5-[2-(methylamino)propylsulfamoyl]thiophen-2-yl]ethyl]propanamide
CID 120824426
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CID 120582593
2,2-dimethyl-N-[2-[5-(1,2,3,6-tetrahydropyridin-4-ylmethylsulfamoyl)thiophen-2-yl]ethyl]propanamide;hydrochloride
CID 120721876
2,2-dimethyl-N-[2-[5-[[3-(trifluoromethyl)phenyl]sulfamoyl]thiophen-2-yl]ethyl]propanamide
CID 166195906
N-[2-[5-(3-piperazin-1-ylpropylsulfamoyl)thiophen-2-yl]ethyl]acetamide;dihydrochloride
CID 119994670
5-(2-aminoethyl)-N-(3-methylsulfanylbutyl)thiophene-2-sulfonamide
CID 113494086
N-[2-[5-[2-(2-methoxyethylamino)ethylsulfamoyl]thiophen-2-yl]ethyl]acetamide
CID 120717361
N-[2-[5-[(6-chloro-2,3-dihydroindol-1-yl)sulfonyl]thiophen-2-yl]ethyl]-2,2-dimethylpropanamide
CID 138997961
N-(5-aminopentyl)-4-(2,2-dimethylpropanoyl)benzenesulfonamide
CID 20604027
N-[2-[5-[[4-cyano-1-(2-cyanoethyl)pyrazol-5-yl]sulfamoyl]thiophen-2-yl]ethyl]-2,2-dimethylpropanamide
CID 86819250
5-(2-aminoethyl)-N-(2-thiophen-3-ylethyl)thiophene-2-sulfonamide
CID 61477775
N-[2-[5-[2-(2-methoxyethylamino)ethylsulfamoyl]thiophen-2-yl]ethyl]acetamide;hydrochloride
CID 120717360

Frequently Asked Questions

What is the IUPAC name of N-[2-[5-(4-aminobutylsulfamoyl)thiophen-2-yl]ethyl]-2,2-dimethylpropanamide?
The IUPAC name of N-[2-[5-(4-aminobutylsulfamoyl)thiophen-2-yl]ethyl]-2,2-dimethylpropanamide (CID 120583485) is N-[2-[5-(4-aminobutylsulfamoyl)thiophen-2-yl]ethyl]-2,2-dimethylpropanamide.
What is the SMILES notation for N-[2-[5-(4-aminobutylsulfamoyl)thiophen-2-yl]ethyl]-2,2-dimethylpropanamide?
The canonical SMILES for N-[2-[5-(4-aminobutylsulfamoyl)thiophen-2-yl]ethyl]-2,2-dimethylpropanamide is CC(C)(C)C(=O)NCCc1ccc(S(=O)(=O)NCCCCN)s1.
What is the InChIKey of N-[2-[5-(4-aminobutylsulfamoyl)thiophen-2-yl]ethyl]-2,2-dimethylpropanamide?
The InChIKey is NSQPNPJMPPOAQW-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H27N3O3S2/c1-15(2,3)14(19)17-11-8-12-6-7-13(22-12)23(20,21)18-10-5-4-9-16/h6-7,18H,4-5,8-11,16H2,1-3H3,(H,17,19).
What are the key properties of N-[2-[5-(4-aminobutylsulfamoyl)thiophen-2-yl]ethyl]-2,2-dimethylpropanamide?
N-[2-[5-(4-aminobutylsulfamoyl)thiophen-2-yl]ethyl]-2,2-dimethylpropanamide has a molecular weight of 361.53 g/mol, XLogP of 1.47, 9 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[5-(4-aminobutylsulfamoyl)thiophen-2-yl]ethyl]-2,2-dimethylpropanamide is sourced from PubChem (CID 120583485), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).