2-[(2-amino-4-methoxyphenyl)sulfonyl-propan-2-ylamino]acetamide

C12H19N3O4S — CID 43576037

IUPAC2-[(2-amino-4-methoxyphenyl)sulfonyl-propan-2-ylamino]acetamide
SMILESCOc1ccc(S(=O)(=O)N(CC(N)=O)C(C)C)c(N)c1
InChIInChI=1S/C12H19N3O4S/c1-8(2)15(7-12(14)16)20(17,18)11-5-4-9(19-3)6-10(11)13/h4-6,8H,7,13H2,1-3H3,(H2,14,16)
InChIKeyWGOKPYKYOPOCCU-UHFFFAOYSA-N
MW301.37 g/mol
LogP0.16
Rot. Bonds6

About 2-[(2-amino-4-methoxyphenyl)sulfonyl-propan-2-ylamino]acetamide

2-[(2-amino-4-methoxyphenyl)sulfonyl-propan-2-ylamino]acetamide (PubChem CID 43576037) has the molecular formula C12H19N3O4S and a molecular weight of 301.37 g/mol. Its IUPAC name is 2-[(2-amino-4-methoxyphenyl)sulfonyl-propan-2-ylamino]acetamide.

Molecular Properties

Compound Name2-[(2-amino-4-methoxyphenyl)sulfonyl-propan-2-ylamino]acetamide
PubChem CID43576037
Molecular FormulaC12H19N3O4S
Molecular Weight301.37 g/mol
Exact Mass301.11
IUPAC Name2-[(2-amino-4-methoxyphenyl)sulfonyl-propan-2-ylamino]acetamide
SMILESCOc1ccc(S(=O)(=O)N(CC(N)=O)C(C)C)c(N)c1
InChIInChI=1S/C12H19N3O4S/c1-8(2)15(7-12(14)16)20(17,18)11-5-4-9(19-3)6-10(11)13/h4-6,8H,7,13H2,1-3H3,(H2,14,16)
InChIKeyWGOKPYKYOPOCCU-UHFFFAOYSA-N
XLogP0.16
TPSA115.72 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500301.37
LogP ≤ 50.16
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

N-hydroxy-2-(7-methoxy-1,1-dioxo-4,5-dihydro-3H-1lambda6,2,5-benzothiadiazepin-2-yl)acetamide
CID 9948296
(2R)-N-hydroxy-2-(7-methoxy-1,1-dioxo-4,5-dihydro-3H-1lambda6,2,5-benzothiadiazepin-2-yl)propanamide
CID 10041385
(2R)-N-hydroxy-2-(7-methoxy-1,1-dioxo-4,5-dihydro-3H-1lambda6,2,5-benzothiadiazepin-2-yl)-3-methylbutanamide
CID 11824087
2-Amino-4-methoxybenzene-1-sulfonamide
CID 12525394
N-cycloheptyl-2-[(3-methoxyphenyl)(phenylsulfonyl)amino]acetamide
CID 1313311
N-(3-methoxyphenyl)-2-[4-(4-methoxyphenyl)sulfonylpiperazin-1-yl]acetamide
CID 3480605
(2R)-2-(1,1-dioxo-7-phenoxy-4,5-dihydro-3H-1lambda6,2,5-benzothiadiazepin-2-yl)-N-hydroxypropanamide
CID 11111616
N1-(3-methoxyphenyl)-N2-((1-(phenylsulfonyl)pyrrolidin-2-yl)methyl)oxalamide
CID 16829836
(2S)-N-(3-methoxyphenyl)-1-(4-methoxyphenyl)sulfonylpyrrolidine-2-carboxamide
CID 40924122
ChemBridge CNS-Set 6187162, 9
CID 1098022
N-hydroxy-2-(N-(4-methoxyphenyl)sulfonylanilino)acetamide
CID 71452292
Benzenesulfonamide, 4-amino-N-(2-(diethylamino)ethyl)-2-methoxy-, monohydrochloride
CID 3046699

Frequently Asked Questions

What is the IUPAC name of 2-[(2-amino-4-methoxyphenyl)sulfonyl-propan-2-ylamino]acetamide?
The IUPAC name of 2-[(2-amino-4-methoxyphenyl)sulfonyl-propan-2-ylamino]acetamide (CID 43576037) is 2-[(2-amino-4-methoxyphenyl)sulfonyl-propan-2-ylamino]acetamide.
What is the SMILES notation for 2-[(2-amino-4-methoxyphenyl)sulfonyl-propan-2-ylamino]acetamide?
The canonical SMILES for 2-[(2-amino-4-methoxyphenyl)sulfonyl-propan-2-ylamino]acetamide is COc1ccc(S(=O)(=O)N(CC(N)=O)C(C)C)c(N)c1.
What is the InChIKey of 2-[(2-amino-4-methoxyphenyl)sulfonyl-propan-2-ylamino]acetamide?
The InChIKey is WGOKPYKYOPOCCU-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H19N3O4S/c1-8(2)15(7-12(14)16)20(17,18)11-5-4-9(19-3)6-10(11)13/h4-6,8H,7,13H2,1-3H3,(H2,14,16).
What are the key properties of 2-[(2-amino-4-methoxyphenyl)sulfonyl-propan-2-ylamino]acetamide?
2-[(2-amino-4-methoxyphenyl)sulfonyl-propan-2-ylamino]acetamide has a molecular weight of 301.37 g/mol, XLogP of 0.16, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(2-amino-4-methoxyphenyl)sulfonyl-propan-2-ylamino]acetamide is sourced from PubChem (CID 43576037), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).