2-[[4-(aminomethyl)-2-methylphenyl]sulfonylamino]-N-(2-methylpropyl)acetamide

C14H23N3O3S — CID 106997106

IUPAC2-[[4-(aminomethyl)-2-methylphenyl]sulfonylamino]-N-(2-methylpropyl)acetamide
SMILESCc1cc(CN)ccc1S(=O)(=O)NCC(=O)NCC(C)C
InChIInChI=1S/C14H23N3O3S/c1-10(2)8-16-14(18)9-17-21(19,20)13-5-4-12(7-15)6-11(13)3/h4-6,10,17H,7-9,15H2,1-3H3,(H,16,18)
InChIKeyCRDYYBQYUHIHBE-UHFFFAOYSA-N
MW313.42 g/mol
LogP0.50
Rot. Bonds7

About 2-[[4-(aminomethyl)-2-methylphenyl]sulfonylamino]-N-(2-methylpropyl)acetamide

2-[[4-(aminomethyl)-2-methylphenyl]sulfonylamino]-N-(2-methylpropyl)acetamide (PubChem CID 106997106) has the molecular formula C14H23N3O3S and a molecular weight of 313.42 g/mol. Its IUPAC name is 2-[[4-(aminomethyl)-2-methylphenyl]sulfonylamino]-N-(2-methylpropyl)acetamide.

Molecular Properties

Compound Name2-[[4-(aminomethyl)-2-methylphenyl]sulfonylamino]-N-(2-methylpropyl)acetamide
PubChem CID106997106
Molecular FormulaC14H23N3O3S
Molecular Weight313.42 g/mol
Exact Mass313.15
IUPAC Name2-[[4-(aminomethyl)-2-methylphenyl]sulfonylamino]-N-(2-methylpropyl)acetamide
SMILESCc1cc(CN)ccc1S(=O)(=O)NCC(=O)NCC(C)C
InChIInChI=1S/C14H23N3O3S/c1-10(2)8-16-14(18)9-17-21(19,20)13-5-4-12(7-15)6-11(13)3/h4-6,10,17H,7-9,15H2,1-3H3,(H,16,18)
InChIKeyCRDYYBQYUHIHBE-UHFFFAOYSA-N
XLogP0.50
TPSA101.29 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500313.42
LogP ≤ 50.50
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

2-[[4-(aminomethyl)-2-methylphenyl]sulfonylamino]acetamide
CID 106996555
4-(aminomethyl)-2-methyl-N-(2,3,3-trimethylbutyl)benzenesulfonamide
CID 106997096
3-[[4-(aminomethyl)-2-methylphenyl]sulfonylamino]propanamide
CID 106996704
2-[(4-fluoro-2,6-dimethylphenyl)sulfonylamino]-N-(2-methylpropyl)acetamide
CID 107327408
4-(aminomethyl)-2-methyl-N-(6-methylheptan-2-yl)benzenesulfonamide
CID 106996805
2-[(4-fluoro-2-methylphenyl)sulfonylamino]-N-[(4-methylphenyl)methyl]acetamide
CID 112992284
2-[(4-bromophenyl)sulfonylamino]-N-(2-methylpropyl)acetamide
CID 112990736
4-(aminomethyl)-2-methyl-N-[(3-methylphenyl)methyl]benzenesulfonamide
CID 106996757
N-(3-methylbutyl)-2-[(2-methylphenyl)sulfonylamino]acetamide
CID 112995226
N-(2-methylpropyl)-2-(5,6,7,8-tetrahydronaphthalen-2-ylsulfonylamino)acetamide
CID 112990740
4-(aminomethyl)-2-methyl-N-(3-pyrrolidin-1-ylpropyl)benzenesulfonamide
CID 106996929
2-[(4-bromophenyl)methylsulfonylamino]-N-(2-methylpropyl)acetamide
CID 21156556

Frequently Asked Questions

What is the IUPAC name of 2-[[4-(aminomethyl)-2-methylphenyl]sulfonylamino]-N-(2-methylpropyl)acetamide?
The IUPAC name of 2-[[4-(aminomethyl)-2-methylphenyl]sulfonylamino]-N-(2-methylpropyl)acetamide (CID 106997106) is 2-[[4-(aminomethyl)-2-methylphenyl]sulfonylamino]-N-(2-methylpropyl)acetamide.
What is the SMILES notation for 2-[[4-(aminomethyl)-2-methylphenyl]sulfonylamino]-N-(2-methylpropyl)acetamide?
The canonical SMILES for 2-[[4-(aminomethyl)-2-methylphenyl]sulfonylamino]-N-(2-methylpropyl)acetamide is Cc1cc(CN)ccc1S(=O)(=O)NCC(=O)NCC(C)C.
What is the InChIKey of 2-[[4-(aminomethyl)-2-methylphenyl]sulfonylamino]-N-(2-methylpropyl)acetamide?
The InChIKey is CRDYYBQYUHIHBE-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H23N3O3S/c1-10(2)8-16-14(18)9-17-21(19,20)13-5-4-12(7-15)6-11(13)3/h4-6,10,17H,7-9,15H2,1-3H3,(H,16,18).
What are the key properties of 2-[[4-(aminomethyl)-2-methylphenyl]sulfonylamino]-N-(2-methylpropyl)acetamide?
2-[[4-(aminomethyl)-2-methylphenyl]sulfonylamino]-N-(2-methylpropyl)acetamide has a molecular weight of 313.42 g/mol, XLogP of 0.50, 7 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[4-(aminomethyl)-2-methylphenyl]sulfonylamino]-N-(2-methylpropyl)acetamide is sourced from PubChem (CID 106997106), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).