N-[4-(butylsulfonylamino)phenyl]-2-(cyclopropylmethylamino)acetamide

C16H25N3O3S — CID 119800501

IUPACN-[4-(butylsulfonylamino)phenyl]-2-(cyclopropylmethylamino)acetamide
SMILESCCCCS(=O)(=O)Nc1ccc(NC(=O)CNCC2CC2)cc1
InChIInChI=1S/C16H25N3O3S/c1-2-3-10-23(21,22)19-15-8-6-14(7-9-15)18-16(20)12-17-11-13-4-5-13/h6-9,13,17,19H,2-5,10-12H2,1H3,(H,18,20)
InChIKeyHWJOSRHNOZMNOY-UHFFFAOYSA-N
MW339.46 g/mol
LogP2.17
Rot. Bonds10

About N-[4-(butylsulfonylamino)phenyl]-2-(cyclopropylmethylamino)acetamide

N-[4-(butylsulfonylamino)phenyl]-2-(cyclopropylmethylamino)acetamide (PubChem CID 119800501) has the molecular formula C16H25N3O3S and a molecular weight of 339.46 g/mol. Its IUPAC name is N-[4-(butylsulfonylamino)phenyl]-2-(cyclopropylmethylamino)acetamide.

Molecular Properties

Compound NameN-[4-(butylsulfonylamino)phenyl]-2-(cyclopropylmethylamino)acetamide
PubChem CID119800501
Molecular FormulaC16H25N3O3S
Molecular Weight339.46 g/mol
Exact Mass339.16
IUPAC NameN-[4-(butylsulfonylamino)phenyl]-2-(cyclopropylmethylamino)acetamide
SMILESCCCCS(=O)(=O)Nc1ccc(NC(=O)CNCC2CC2)cc1
InChIInChI=1S/C16H25N3O3S/c1-2-3-10-23(21,22)19-15-8-6-14(7-9-15)18-16(20)12-17-11-13-4-5-13/h6-9,13,17,19H,2-5,10-12H2,1H3,(H,18,20)
InChIKeyHWJOSRHNOZMNOY-UHFFFAOYSA-N
XLogP2.17
TPSA87.30 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds10
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500339.46
LogP ≤ 52.17
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Analyze N-[4-(butylsulfonylamino)phenyl]-2-(cyclopropylmethylamino)acetamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-[4-(butylsulfonylamino)phenyl]-2-(methylamino)acetamide;hydrochloride
CID 119800492
2-(cyclopropylmethylamino)-N-(4-methylphenyl)acetamide
CID 28566911
N-[4-(butylsulfonylamino)phenyl]-2-pyrrolidin-2-ylacetamide;hydrochloride
CID 119800516
2-(cyclopropylmethylamino)-N-[4-(ethylsulfonylamino)-3-methylphenyl]acetamide
CID 119739287
methyl N-[4-[[2-(cyclopropylmethylamino)acetyl]amino]phenyl]carbamate
CID 60866405
2-(cyclopropylmethylamino)-N-(4-propoxyphenyl)acetamide
CID 55060300
2-(2-methoxyethylamino)-N-[4-(propylsulfonylamino)phenyl]acetamide;hydrochloride
CID 119754250
2-(cyclopropylmethylamino)-N-[4-(ethylsulfonylamino)-3-methoxyphenyl]acetamide
CID 119739337
3-amino-N-[4-(butylsulfonylamino)phenyl]cyclopentane-1-carboxamide
CID 119800485
2-(cyclopropylmethylamino)-N-[4-(dimethylsulfamoyl)phenyl]acetamide
CID 60867627
3-amino-N-[4-(butylsulfonylamino)phenyl]cyclopentane-1-carboxamide;hydrochloride
CID 119800484
N-(4-fluorophenyl)-2-[(4-methylcyclohexyl)methylamino]acetamide
CID 63243623

Frequently Asked Questions

What is the IUPAC name of N-[4-(butylsulfonylamino)phenyl]-2-(cyclopropylmethylamino)acetamide?
The IUPAC name of N-[4-(butylsulfonylamino)phenyl]-2-(cyclopropylmethylamino)acetamide (CID 119800501) is N-[4-(butylsulfonylamino)phenyl]-2-(cyclopropylmethylamino)acetamide.
What is the SMILES notation for N-[4-(butylsulfonylamino)phenyl]-2-(cyclopropylmethylamino)acetamide?
The canonical SMILES for N-[4-(butylsulfonylamino)phenyl]-2-(cyclopropylmethylamino)acetamide is CCCCS(=O)(=O)Nc1ccc(NC(=O)CNCC2CC2)cc1.
What is the InChIKey of N-[4-(butylsulfonylamino)phenyl]-2-(cyclopropylmethylamino)acetamide?
The InChIKey is HWJOSRHNOZMNOY-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H25N3O3S/c1-2-3-10-23(21,22)19-15-8-6-14(7-9-15)18-16(20)12-17-11-13-4-5-13/h6-9,13,17,19H,2-5,10-12H2,1H3,(H,18,20).
What are the key properties of N-[4-(butylsulfonylamino)phenyl]-2-(cyclopropylmethylamino)acetamide?
N-[4-(butylsulfonylamino)phenyl]-2-(cyclopropylmethylamino)acetamide has a molecular weight of 339.46 g/mol, XLogP of 2.17, 10 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-(butylsulfonylamino)phenyl]-2-(cyclopropylmethylamino)acetamide is sourced from PubChem (CID 119800501), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).