2-[cyclopropylmethyl(propyl)amino]-N-(3-sulfamoylphenyl)acetamide

C15H23N3O3S — CID 86910871

IUPAC2-[cyclopropylmethyl(propyl)amino]-N-(3-sulfamoylphenyl)acetamide
SMILESCCCN(CC(=O)Nc1cccc(S(N)(=O)=O)c1)CC1CC1
InChIInChI=1S/C15H23N3O3S/c1-2-8-18(10-12-6-7-12)11-15(19)17-13-4-3-5-14(9-13)22(16,20)21/h3-5,9,12H,2,6-8,10-11H2,1H3,(H,17,19)(H2,16,20,21)
InChIKeyQVAILAHXKAEGOQ-UHFFFAOYSA-N
MW325.43 g/mol
LogP1.39
Rot. Bonds8

About 2-[cyclopropylmethyl(propyl)amino]-N-(3-sulfamoylphenyl)acetamide

2-[cyclopropylmethyl(propyl)amino]-N-(3-sulfamoylphenyl)acetamide (PubChem CID 86910871) has the molecular formula C15H23N3O3S and a molecular weight of 325.43 g/mol. Its IUPAC name is 2-[cyclopropylmethyl(propyl)amino]-N-(3-sulfamoylphenyl)acetamide.

Molecular Properties

Compound Name2-[cyclopropylmethyl(propyl)amino]-N-(3-sulfamoylphenyl)acetamide
PubChem CID86910871
Molecular FormulaC15H23N3O3S
Molecular Weight325.43 g/mol
Exact Mass325.15
IUPAC Name2-[cyclopropylmethyl(propyl)amino]-N-(3-sulfamoylphenyl)acetamide
SMILESCCCN(CC(=O)Nc1cccc(S(N)(=O)=O)c1)CC1CC1
InChIInChI=1S/C15H23N3O3S/c1-2-8-18(10-12-6-7-12)11-15(19)17-13-4-3-5-14(9-13)22(16,20)21/h3-5,9,12H,2,6-8,10-11H2,1H3,(H,17,19)(H2,16,20,21)
InChIKeyQVAILAHXKAEGOQ-UHFFFAOYSA-N
XLogP1.39
TPSA92.50 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500325.43
LogP ≤ 51.39
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-(3-amino-4-chlorophenyl)-2-[cyclopropylmethyl(propyl)amino]acetamide
CID 43588022
N-(3-amino-4-fluorophenyl)-2-[cyclopropylmethyl(propyl)amino]acetamide
CID 43587980
2-[cyclopropylmethyl(propyl)amino]-N-[4-methyl-3-(methylsulfamoyl)phenyl]acetamide
CID 86910911
2-[ethyl-[2-oxo-2-(propan-2-ylamino)ethyl]amino]-N-(3-sulfamoylphenyl)acetamide
CID 39895252
3-[cyclopropylmethyl(propyl)amino]-N-(3-fluorophenyl)propanamide;hydrochloride
CID 90483417
N-(4-amino-2-chlorophenyl)-2-[cyclopropylmethyl(propyl)amino]acetamide
CID 43588026
3-cyclohexyl-N-(3-sulfamoylphenyl)propanamide
CID 4588833
N-(4-chloro-2-methylphenyl)-2-[cyclopropylmethyl(propyl)amino]acetamide
CID 78821176
N-(3-aminophenyl)-2-(dibutylamino)acetamide
CID 28982406
2-[cyclopropyl-[(4-fluorophenyl)methyl]amino]-N-(3-sulfamoylphenyl)acetamide
CID 8905201
2-[[(2S)-oxolan-2-yl]methyl-(thiophen-2-ylmethyl)amino]-N-(3-sulfamoylphenyl)acetamide
CID 9055285
ethyl 3-[[2-[3-(cyclopropylcarbamoyl)anilino]-2-oxoethyl]-(cyclopropylmethyl)amino]propanoate
CID 49149265

Frequently Asked Questions

What is the IUPAC name of 2-[cyclopropylmethyl(propyl)amino]-N-(3-sulfamoylphenyl)acetamide?
The IUPAC name of 2-[cyclopropylmethyl(propyl)amino]-N-(3-sulfamoylphenyl)acetamide (CID 86910871) is 2-[cyclopropylmethyl(propyl)amino]-N-(3-sulfamoylphenyl)acetamide.
What is the SMILES notation for 2-[cyclopropylmethyl(propyl)amino]-N-(3-sulfamoylphenyl)acetamide?
The canonical SMILES for 2-[cyclopropylmethyl(propyl)amino]-N-(3-sulfamoylphenyl)acetamide is CCCN(CC(=O)Nc1cccc(S(N)(=O)=O)c1)CC1CC1.
What is the InChIKey of 2-[cyclopropylmethyl(propyl)amino]-N-(3-sulfamoylphenyl)acetamide?
The InChIKey is QVAILAHXKAEGOQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H23N3O3S/c1-2-8-18(10-12-6-7-12)11-15(19)17-13-4-3-5-14(9-13)22(16,20)21/h3-5,9,12H,2,6-8,10-11H2,1H3,(H,17,19)(H2,16,20,21).
What are the key properties of 2-[cyclopropylmethyl(propyl)amino]-N-(3-sulfamoylphenyl)acetamide?
2-[cyclopropylmethyl(propyl)amino]-N-(3-sulfamoylphenyl)acetamide has a molecular weight of 325.43 g/mol, XLogP of 1.39, 8 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[cyclopropylmethyl(propyl)amino]-N-(3-sulfamoylphenyl)acetamide is sourced from PubChem (CID 86910871), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).