N-[2-[(3-amino-4-ethylphenyl)sulfonylamino]ethyl]acetamide

C12H19N3O3S — CID 43552681

IUPACN-[2-[(3-amino-4-ethylphenyl)sulfonylamino]ethyl]acetamide
SMILESCCc1ccc(S(=O)(=O)NCCNC(C)=O)cc1N
InChIInChI=1S/C12H19N3O3S/c1-3-10-4-5-11(8-12(10)13)19(17,18)15-7-6-14-9(2)16/h4-5,8,15H,3,6-7,13H2,1-2H3,(H,14,16)
InChIKeyGXZNQFZIPDMAFU-UHFFFAOYSA-N
MW285.37 g/mol
LogP0.25
Rot. Bonds6

About N-[2-[(3-amino-4-ethylphenyl)sulfonylamino]ethyl]acetamide

N-[2-[(3-amino-4-ethylphenyl)sulfonylamino]ethyl]acetamide (PubChem CID 43552681) has the molecular formula C12H19N3O3S and a molecular weight of 285.37 g/mol. Its IUPAC name is N-[2-[(3-amino-4-ethylphenyl)sulfonylamino]ethyl]acetamide.

Molecular Properties

Compound NameN-[2-[(3-amino-4-ethylphenyl)sulfonylamino]ethyl]acetamide
PubChem CID43552681
Molecular FormulaC12H19N3O3S
Molecular Weight285.37 g/mol
Exact Mass285.11
IUPAC NameN-[2-[(3-amino-4-ethylphenyl)sulfonylamino]ethyl]acetamide
SMILESCCc1ccc(S(=O)(=O)NCCNC(C)=O)cc1N
InChIInChI=1S/C12H19N3O3S/c1-3-10-4-5-11(8-12(10)13)19(17,18)15-7-6-14-9(2)16/h4-5,8,15H,3,6-7,13H2,1-2H3,(H,14,16)
InChIKeyGXZNQFZIPDMAFU-UHFFFAOYSA-N
XLogP0.25
TPSA101.29 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.37
LogP ≤ 50.25
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'aniline', 'substructure': 'N/A'}

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Related Compounds

N-[2-[(2-amino-5-methylsulfonylphenyl)sulfonylamino]ethyl]acetamide
CID 62146789
2-[(3-amino-4-ethylphenyl)sulfonylamino]acetamide
CID 43257083
N-[2-[(3,4-difluorophenyl)sulfonylamino]ethyl]acetamide
CID 26942986
2-[2-[(3-amino-4-ethylphenyl)sulfonylamino]ethoxy]acetamide
CID 106233792
3-amino-4-ethyl-N-(2-methylpropyl)benzenesulfonamide
CID 43256978
N-[2-[(4-methylsulfonylphenyl)sulfonylamino]ethyl]acetamide
CID 110759438
N-[2-[(3-amino-5-fluoro-4-methylphenyl)sulfonylamino]ethyl]acetamide
CID 116791512
N-[2-[[4-(aminomethyl)phenyl]sulfonylamino]ethyl]acetamide
CID 43552821
3-amino-4-ethyl-N-(3-methoxypropyl)benzenesulfonamide
CID 43258870
N-[2-(2,3-dihydro-1H-inden-5-ylsulfonylamino)ethyl]acetamide
CID 26943012
3-amino-N-(2,2-dimethylpropyl)-4-ethylbenzenesulfonamide
CID 61168643
methyl 3-[(3-amino-4-ethylphenyl)sulfonylamino]-2-hydroxypropanoate
CID 107213720

Frequently Asked Questions

What is the IUPAC name of N-[2-[(3-amino-4-ethylphenyl)sulfonylamino]ethyl]acetamide?
The IUPAC name of N-[2-[(3-amino-4-ethylphenyl)sulfonylamino]ethyl]acetamide (CID 43552681) is N-[2-[(3-amino-4-ethylphenyl)sulfonylamino]ethyl]acetamide.
What is the SMILES notation for N-[2-[(3-amino-4-ethylphenyl)sulfonylamino]ethyl]acetamide?
The canonical SMILES for N-[2-[(3-amino-4-ethylphenyl)sulfonylamino]ethyl]acetamide is CCc1ccc(S(=O)(=O)NCCNC(C)=O)cc1N.
What is the InChIKey of N-[2-[(3-amino-4-ethylphenyl)sulfonylamino]ethyl]acetamide?
The InChIKey is GXZNQFZIPDMAFU-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H19N3O3S/c1-3-10-4-5-11(8-12(10)13)19(17,18)15-7-6-14-9(2)16/h4-5,8,15H,3,6-7,13H2,1-2H3,(H,14,16).
What are the key properties of N-[2-[(3-amino-4-ethylphenyl)sulfonylamino]ethyl]acetamide?
N-[2-[(3-amino-4-ethylphenyl)sulfonylamino]ethyl]acetamide has a molecular weight of 285.37 g/mol, XLogP of 0.25, 6 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[(3-amino-4-ethylphenyl)sulfonylamino]ethyl]acetamide is sourced from PubChem (CID 43552681), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).