4-amino-N-[3-(cyclopropylsulfamoyl)-4-methoxyphenyl]butanamide

C14H21N3O4S — CID 119331495

IUPAC4-amino-N-[3-(cyclopropylsulfamoyl)-4-methoxyphenyl]butanamide
SMILESCOc1ccc(NC(=O)CCCN)cc1S(=O)(=O)NC1CC1
InChIInChI=1S/C14H21N3O4S/c1-21-12-7-6-11(16-14(18)3-2-8-15)9-13(12)22(19,20)17-10-4-5-10/h6-7,9-10,17H,2-5,8,15H2,1H3,(H,16,18)
InChIKeyXPSBOLXVHCANOH-UHFFFAOYSA-N
MW327.41 g/mol
LogP0.81
Rot. Bonds8

About 4-amino-N-[3-(cyclopropylsulfamoyl)-4-methoxyphenyl]butanamide

4-amino-N-[3-(cyclopropylsulfamoyl)-4-methoxyphenyl]butanamide (PubChem CID 119331495) has the molecular formula C14H21N3O4S and a molecular weight of 327.41 g/mol. Its IUPAC name is 4-amino-N-[3-(cyclopropylsulfamoyl)-4-methoxyphenyl]butanamide.

Molecular Properties

Compound Name4-amino-N-[3-(cyclopropylsulfamoyl)-4-methoxyphenyl]butanamide
PubChem CID119331495
Molecular FormulaC14H21N3O4S
Molecular Weight327.41 g/mol
Exact Mass327.13
IUPAC Name4-amino-N-[3-(cyclopropylsulfamoyl)-4-methoxyphenyl]butanamide
SMILESCOc1ccc(NC(=O)CCCN)cc1S(=O)(=O)NC1CC1
InChIInChI=1S/C14H21N3O4S/c1-21-12-7-6-11(16-14(18)3-2-8-15)9-13(12)22(19,20)17-10-4-5-10/h6-7,9-10,17H,2-5,8,15H2,1H3,(H,16,18)
InChIKeyXPSBOLXVHCANOH-UHFFFAOYSA-N
XLogP0.81
TPSA110.52 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500327.41
LogP ≤ 50.81
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Related Compounds

7-amino-N-[3-(cyclopropylsulfamoyl)-4-methylphenyl]heptanamide;hydrochloride
CID 119797366
2-amino-N-[3-(cyclopropylsulfamoyl)-4-methoxyphenyl]-2-methylpropanamide;hydrochloride
CID 119331466
1-amino-N-[3-(cyclopropylsulfamoyl)-4-methoxyphenyl]cyclopropane-1-carboxamide
CID 119797467
1-amino-N-[3-(cyclopropylsulfamoyl)-4-methoxyphenyl]cyclohexane-1-carboxamide
CID 119331491
2-(aminomethyl)-N-[3-(cyclopropylsulfamoyl)-4-methoxyphenyl]-1,3-thiazole-4-carboxamide;hydrochloride
CID 119797494
N-[3-(cyclopropylsulfamoyl)-4-methoxyphenyl]-2-thiomorpholin-3-ylacetamide
CID 119939619
4-amino-N-(3-ethyl-4-methoxyphenyl)butanamide
CID 98784022
(2S)-2-amino-N-[3-(cyclopropylsulfamoyl)-4-methoxyphenyl]-4-methylsulfanylbutanamide;hydrochloride
CID 119331476
N-[3-(cyclopropylsulfamoyl)-4-methylphenyl]-4-(methylamino)butanamide;hydrochloride
CID 119797372
3-amino-N-[5-(cyclopropylsulfamoyl)-2-methoxyphenyl]propanamide
CID 119277783
2-amino-N-[3-(cyclopropylsulfamoyl)-4-methylphenyl]acetamide
CID 119331403
N-[4-(4-aminobutanoylamino)-2-methoxyphenyl]cyclopropanecarboxamide
CID 39193167

Frequently Asked Questions

What is the IUPAC name of 4-amino-N-[3-(cyclopropylsulfamoyl)-4-methoxyphenyl]butanamide?
The IUPAC name of 4-amino-N-[3-(cyclopropylsulfamoyl)-4-methoxyphenyl]butanamide (CID 119331495) is 4-amino-N-[3-(cyclopropylsulfamoyl)-4-methoxyphenyl]butanamide.
What is the SMILES notation for 4-amino-N-[3-(cyclopropylsulfamoyl)-4-methoxyphenyl]butanamide?
The canonical SMILES for 4-amino-N-[3-(cyclopropylsulfamoyl)-4-methoxyphenyl]butanamide is COc1ccc(NC(=O)CCCN)cc1S(=O)(=O)NC1CC1.
What is the InChIKey of 4-amino-N-[3-(cyclopropylsulfamoyl)-4-methoxyphenyl]butanamide?
The InChIKey is XPSBOLXVHCANOH-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21N3O4S/c1-21-12-7-6-11(16-14(18)3-2-8-15)9-13(12)22(19,20)17-10-4-5-10/h6-7,9-10,17H,2-5,8,15H2,1H3,(H,16,18).
What are the key properties of 4-amino-N-[3-(cyclopropylsulfamoyl)-4-methoxyphenyl]butanamide?
4-amino-N-[3-(cyclopropylsulfamoyl)-4-methoxyphenyl]butanamide has a molecular weight of 327.41 g/mol, XLogP of 0.81, 8 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-amino-N-[3-(cyclopropylsulfamoyl)-4-methoxyphenyl]butanamide is sourced from PubChem (CID 119331495), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).