2-[[3-(1-aminopropyl)phenyl]sulfonylamino]-N-propan-2-ylacetamide

C14H23N3O3S — CID 60872861

IUPAC2-[[3-(1-aminopropyl)phenyl]sulfonylamino]-N-propan-2-ylacetamide
SMILESCCC(N)c1cccc(S(=O)(=O)NCC(=O)NC(C)C)c1
InChIInChI=1S/C14H23N3O3S/c1-4-13(15)11-6-5-7-12(8-11)21(19,20)16-9-14(18)17-10(2)3/h5-8,10,13,16H,4,9,15H2,1-3H3,(H,17,18)
InChIKeyCNYYKVYLXTXSKA-UHFFFAOYSA-N
MW313.42 g/mol
LogP0.90
Rot. Bonds7

About 2-[[3-(1-aminopropyl)phenyl]sulfonylamino]-N-propan-2-ylacetamide

2-[[3-(1-aminopropyl)phenyl]sulfonylamino]-N-propan-2-ylacetamide (PubChem CID 60872861) has the molecular formula C14H23N3O3S and a molecular weight of 313.42 g/mol. Its IUPAC name is 2-[[3-(1-aminopropyl)phenyl]sulfonylamino]-N-propan-2-ylacetamide.

Molecular Properties

Compound Name2-[[3-(1-aminopropyl)phenyl]sulfonylamino]-N-propan-2-ylacetamide
PubChem CID60872861
Molecular FormulaC14H23N3O3S
Molecular Weight313.42 g/mol
Exact Mass313.15
IUPAC Name2-[[3-(1-aminopropyl)phenyl]sulfonylamino]-N-propan-2-ylacetamide
SMILESCCC(N)c1cccc(S(=O)(=O)NCC(=O)NC(C)C)c1
InChIInChI=1S/C14H23N3O3S/c1-4-13(15)11-6-5-7-12(8-11)21(19,20)16-9-14(18)17-10(2)3/h5-8,10,13,16H,4,9,15H2,1-3H3,(H,17,18)
InChIKeyCNYYKVYLXTXSKA-UHFFFAOYSA-N
XLogP0.90
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 ≤ 50.90
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

ethyl 2-[[3-(1-aminopropyl)phenyl]sulfonylamino]propanoate
CID 61499264
3-(1-aminopropyl)-N-(cyclopropylmethyl)benzenesulfonamide
CID 60874157
3-(1-aminopropyl)-N-(furan-2-ylmethyl)benzenesulfonamide
CID 60873785
N-butan-2-yl-2-[(3-methylphenyl)sulfonylamino]acetamide
CID 112990843
3-(1-aminopropyl)-N-(pyridin-4-ylmethyl)benzenesulfonamide
CID 60872660
3-(1-aminopropyl)-N-pyrimidin-5-ylbenzenesulfonamide
CID 107588975
1-(3-methylsulfonylphenyl)propan-1-amine
CID 66935160
2-[[3-[1-(methylamino)propyl]phenyl]sulfonylamino]acetamide
CID 60873598
3-(1-aminopropyl)-N-[(2-methylthiolan-2-yl)methyl]benzenesulfonamide
CID 80743494
2-[[4-(1-hydroxyethyl)phenyl]sulfonylamino]-N-propan-2-ylacetamide
CID 43568111
[2-oxo-2-(propan-2-ylamino)ethyl] 2-[(3-fluorophenyl)sulfonylamino]acetate
CID 7961583
3-(1-aminopropyl)-N-(2-thiophen-3-ylethyl)benzenesulfonamide
CID 61477476

Frequently Asked Questions

What is the IUPAC name of 2-[[3-(1-aminopropyl)phenyl]sulfonylamino]-N-propan-2-ylacetamide?
The IUPAC name of 2-[[3-(1-aminopropyl)phenyl]sulfonylamino]-N-propan-2-ylacetamide (CID 60872861) is 2-[[3-(1-aminopropyl)phenyl]sulfonylamino]-N-propan-2-ylacetamide.
What is the SMILES notation for 2-[[3-(1-aminopropyl)phenyl]sulfonylamino]-N-propan-2-ylacetamide?
The canonical SMILES for 2-[[3-(1-aminopropyl)phenyl]sulfonylamino]-N-propan-2-ylacetamide is CCC(N)c1cccc(S(=O)(=O)NCC(=O)NC(C)C)c1.
What is the InChIKey of 2-[[3-(1-aminopropyl)phenyl]sulfonylamino]-N-propan-2-ylacetamide?
The InChIKey is CNYYKVYLXTXSKA-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H23N3O3S/c1-4-13(15)11-6-5-7-12(8-11)21(19,20)16-9-14(18)17-10(2)3/h5-8,10,13,16H,4,9,15H2,1-3H3,(H,17,18).
What are the key properties of 2-[[3-(1-aminopropyl)phenyl]sulfonylamino]-N-propan-2-ylacetamide?
2-[[3-(1-aminopropyl)phenyl]sulfonylamino]-N-propan-2-ylacetamide has a molecular weight of 313.42 g/mol, XLogP of 0.90, 7 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[3-(1-aminopropyl)phenyl]sulfonylamino]-N-propan-2-ylacetamide is sourced from PubChem (CID 60872861), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).