2-[(2-amino-2-oxoethyl)-[4-(1-hydroxyethyl)phenyl]sulfonylamino]acetamide

C12H17N3O5S — CID 62923168

IUPAC2-[(2-amino-2-oxoethyl)-[4-(1-hydroxyethyl)phenyl]sulfonylamino]acetamide
SMILESCC(O)c1ccc(S(=O)(=O)N(CC(N)=O)CC(N)=O)cc1
InChIInChI=1S/C12H17N3O5S/c1-8(16)9-2-4-10(5-3-9)21(19,20)15(6-11(13)17)7-12(14)18/h2-5,8,16H,6-7H2,1H3,(H2,13,17)(H2,14,18)
InChIKeyBHULKAPQFAHQAN-UHFFFAOYSA-N
MW315.35 g/mol
LogP-1.30
Rot. Bonds7

About 2-[(2-amino-2-oxoethyl)-[4-(1-hydroxyethyl)phenyl]sulfonylamino]acetamide

2-[(2-amino-2-oxoethyl)-[4-(1-hydroxyethyl)phenyl]sulfonylamino]acetamide (PubChem CID 62923168) has the molecular formula C12H17N3O5S and a molecular weight of 315.35 g/mol. Its IUPAC name is 2-[(2-amino-2-oxoethyl)-[4-(1-hydroxyethyl)phenyl]sulfonylamino]acetamide.

Molecular Properties

Compound Name2-[(2-amino-2-oxoethyl)-[4-(1-hydroxyethyl)phenyl]sulfonylamino]acetamide
PubChem CID62923168
Molecular FormulaC12H17N3O5S
Molecular Weight315.35 g/mol
Exact Mass315.09
IUPAC Name2-[(2-amino-2-oxoethyl)-[4-(1-hydroxyethyl)phenyl]sulfonylamino]acetamide
SMILESCC(O)c1ccc(S(=O)(=O)N(CC(N)=O)CC(N)=O)cc1
InChIInChI=1S/C12H17N3O5S/c1-8(16)9-2-4-10(5-3-9)21(19,20)15(6-11(13)17)7-12(14)18/h2-5,8,16H,6-7H2,1H3,(H2,13,17)(H2,14,18)
InChIKeyBHULKAPQFAHQAN-UHFFFAOYSA-N
XLogP-1.30
TPSA143.79 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500315.35
LogP ≤ 5-1.30
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Related Compounds

2-[[4-(1-aminoethyl)phenyl]sulfonyl-(2-amino-2-oxoethyl)amino]acetamide
CID 62923333
2-[ethyl-[4-[1-(ethylamino)ethyl]phenyl]sulfonylamino]acetamide
CID 103102881
methyl 2-[[4-(1-hydroxyethyl)phenyl]sulfonyl-methylamino]acetate
CID 43507226
2-[[4-(aminomethyl)phenyl]sulfonyl-propan-2-ylamino]acetamide
CID 43578991
2-[[4-(aminomethyl)phenyl]sulfonyl-ethylamino]acetamide
CID 103101685
N-(2-ethoxyethyl)-N-ethyl-4-(1-hydroxyethyl)benzenesulfonamide
CID 63691304
2-[(3-amino-4-bromophenyl)sulfonyl-(2-methylpropyl)amino]acetamide
CID 115328962
2-[(4-bromophenyl)sulfonyl-butylamino]acetamide
CID 47204425
N-butyl-4-(1-hydroxyethyl)-N-methylbenzenesulfonamide
CID 43507359
2-[(4-propan-2-ylphenyl)sulfonyl-prop-2-ynylamino]acetic acid
CID 79274625
3-[[4-(1-hydroxyethyl)phenyl]sulfonyl-methylamino]-N,2-dimethylpropanamide
CID 106917610
2-[(2-amino-2-oxoethyl)-[4-(cyanomethyl)phenyl]sulfonylamino]acetic acid
CID 107435746

Frequently Asked Questions

What is the IUPAC name of 2-[(2-amino-2-oxoethyl)-[4-(1-hydroxyethyl)phenyl]sulfonylamino]acetamide?
The IUPAC name of 2-[(2-amino-2-oxoethyl)-[4-(1-hydroxyethyl)phenyl]sulfonylamino]acetamide (CID 62923168) is 2-[(2-amino-2-oxoethyl)-[4-(1-hydroxyethyl)phenyl]sulfonylamino]acetamide.
What is the SMILES notation for 2-[(2-amino-2-oxoethyl)-[4-(1-hydroxyethyl)phenyl]sulfonylamino]acetamide?
The canonical SMILES for 2-[(2-amino-2-oxoethyl)-[4-(1-hydroxyethyl)phenyl]sulfonylamino]acetamide is CC(O)c1ccc(S(=O)(=O)N(CC(N)=O)CC(N)=O)cc1.
What is the InChIKey of 2-[(2-amino-2-oxoethyl)-[4-(1-hydroxyethyl)phenyl]sulfonylamino]acetamide?
The InChIKey is BHULKAPQFAHQAN-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17N3O5S/c1-8(16)9-2-4-10(5-3-9)21(19,20)15(6-11(13)17)7-12(14)18/h2-5,8,16H,6-7H2,1H3,(H2,13,17)(H2,14,18).
What are the key properties of 2-[(2-amino-2-oxoethyl)-[4-(1-hydroxyethyl)phenyl]sulfonylamino]acetamide?
2-[(2-amino-2-oxoethyl)-[4-(1-hydroxyethyl)phenyl]sulfonylamino]acetamide has a molecular weight of 315.35 g/mol, XLogP of -1.30, 7 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(2-amino-2-oxoethyl)-[4-(1-hydroxyethyl)phenyl]sulfonylamino]acetamide is sourced from PubChem (CID 62923168), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).