N-[2-[5-[(2-amino-2-cyclopropylethyl)sulfamoyl]thiophen-2-yl]ethyl]-2,2-dimethylpropanamide;hydrochloride

C16H28ClN3O3S2 — CID 120582593

IUPACN-[2-[5-[(2-amino-2-cyclopropylethyl)sulfamoyl]thiophen-2-yl]ethyl]-2,2-dimethylpropanamide;hydrochloride
SMILESCC(C)(C)C(=O)NCCc1ccc(S(=O)(=O)NCC(N)C2CC2)s1.Cl
InChIInChI=1S/C16H27N3O3S2.ClH/c1-16(2,3)15(20)18-9-8-12-6-7-14(23-12)24(21,22)19-10-13(17)11-4-5-11;/h6-7,11,13,19H,4-5,8-10,17H2,1-3H3,(H,18,20);1H
InChIKeyCJRUOMJEHNICFK-UHFFFAOYSA-N
MW410.01 g/mol
LogP1.89
Rot. Bonds8

About N-[2-[5-[(2-amino-2-cyclopropylethyl)sulfamoyl]thiophen-2-yl]ethyl]-2,2-dimethylpropanamide;hydrochloride

N-[2-[5-[(2-amino-2-cyclopropylethyl)sulfamoyl]thiophen-2-yl]ethyl]-2,2-dimethylpropanamide;hydrochloride (PubChem CID 120582593) has the molecular formula C16H28ClN3O3S2 and a molecular weight of 410.01 g/mol. Its IUPAC name is N-[2-[5-[(2-amino-2-cyclopropylethyl)sulfamoyl]thiophen-2-yl]ethyl]-2,2-dimethylpropanamide;hydrochloride.

Molecular Properties

Compound NameN-[2-[5-[(2-amino-2-cyclopropylethyl)sulfamoyl]thiophen-2-yl]ethyl]-2,2-dimethylpropanamide;hydrochloride
PubChem CID120582593
Molecular FormulaC16H28ClN3O3S2
Molecular Weight410.01 g/mol
Exact Mass409.13
IUPAC NameN-[2-[5-[(2-amino-2-cyclopropylethyl)sulfamoyl]thiophen-2-yl]ethyl]-2,2-dimethylpropanamide;hydrochloride
SMILESCC(C)(C)C(=O)NCCc1ccc(S(=O)(=O)NCC(N)C2CC2)s1.Cl
InChIInChI=1S/C16H27N3O3S2.ClH/c1-16(2,3)15(20)18-9-8-12-6-7-14(23-12)24(21,22)19-10-13(17)11-4-5-11;/h6-7,11,13,19H,4-5,8-10,17H2,1-3H3,(H,18,20);1H
InChIKeyCJRUOMJEHNICFK-UHFFFAOYSA-N
XLogP1.89
TPSA101.29 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500410.01
LogP ≤ 51.89
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Analyze N-[2-[5-[(2-amino-2-cyclopropylethyl)sulfamoyl]thiophen-2-yl]ethyl]-2,2-dimethylpropanamide;hydrochloride with MolForge

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Related Compounds

2,2-dimethyl-N-[2-[5-[2-(methylamino)propylsulfamoyl]thiophen-2-yl]ethyl]propanamide
CID 120824426
N-[2-[5-(4-aminobutylsulfamoyl)thiophen-2-yl]ethyl]-2,2-dimethylpropanamide
CID 120583485
N-(2-amino-2-cyclopropylethyl)-5-tert-butylthiophene-2-sulfonamide
CID 120582292
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-(methylamino)piperidin-1-yl]sulfonylthiophen-2-yl]ethyl]propanamide;hydrochloride
CID 120715461
2,2-dimethyl-N-[2-[5-[[3-(trifluoromethyl)phenyl]sulfamoyl]thiophen-2-yl]ethyl]propanamide
CID 166195906
2,2-dimethyl-N-[2-[5-[(3-propan-2-yl-2,3-dihydroindol-1-yl)sulfonyl]thiophen-2-yl]ethyl]propanamide
CID 139012998
N-(2-chloro-2-cyclopropylethyl)-5-ethylthiophene-2-sulfonamide
CID 65031848
N-(cyclopentylmethyl)-5-[2-(propan-2-ylamino)ethyl]thiophene-2-sulfonamide
CID 106027132
N-[2-[5-[(6-chloro-2,3-dihydroindol-1-yl)sulfonyl]thiophen-2-yl]ethyl]-2,2-dimethylpropanamide
CID 138997961
N-(cyclopentylmethyl)-5-[2-(methylamino)ethyl]thiophene-2-sulfonamide
CID 106027253
methyl 4-[(2-amino-2-cyclopropylethyl)sulfamoyl]benzoate;hydrochloride
CID 120582816

Frequently Asked Questions

What is the IUPAC name of N-[2-[5-[(2-amino-2-cyclopropylethyl)sulfamoyl]thiophen-2-yl]ethyl]-2,2-dimethylpropanamide;hydrochloride?
The IUPAC name of N-[2-[5-[(2-amino-2-cyclopropylethyl)sulfamoyl]thiophen-2-yl]ethyl]-2,2-dimethylpropanamide;hydrochloride (CID 120582593) is N-[2-[5-[(2-amino-2-cyclopropylethyl)sulfamoyl]thiophen-2-yl]ethyl]-2,2-dimethylpropanamide;hydrochloride.
What is the SMILES notation for N-[2-[5-[(2-amino-2-cyclopropylethyl)sulfamoyl]thiophen-2-yl]ethyl]-2,2-dimethylpropanamide;hydrochloride?
The canonical SMILES for N-[2-[5-[(2-amino-2-cyclopropylethyl)sulfamoyl]thiophen-2-yl]ethyl]-2,2-dimethylpropanamide;hydrochloride is CC(C)(C)C(=O)NCCc1ccc(S(=O)(=O)NCC(N)C2CC2)s1.Cl.
What is the InChIKey of N-[2-[5-[(2-amino-2-cyclopropylethyl)sulfamoyl]thiophen-2-yl]ethyl]-2,2-dimethylpropanamide;hydrochloride?
The InChIKey is CJRUOMJEHNICFK-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H27N3O3S2.ClH/c1-16(2,3)15(20)18-9-8-12-6-7-14(23-12)24(21,22)19-10-13(17)11-4-5-11;/h6-7,11,13,19H,4-5,8-10,17H2,1-3H3,(H,18,20);1H.
What are the key properties of N-[2-[5-[(2-amino-2-cyclopropylethyl)sulfamoyl]thiophen-2-yl]ethyl]-2,2-dimethylpropanamide;hydrochloride?
N-[2-[5-[(2-amino-2-cyclopropylethyl)sulfamoyl]thiophen-2-yl]ethyl]-2,2-dimethylpropanamide;hydrochloride has a molecular weight of 410.01 g/mol, XLogP of 1.89, 8 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[5-[(2-amino-2-cyclopropylethyl)sulfamoyl]thiophen-2-yl]ethyl]-2,2-dimethylpropanamide;hydrochloride is sourced from PubChem (CID 120582593), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).