4-[[[2-(2-ethoxyphenoxy)acetyl]amino]carbamoyl]-N-propan-2-ylbenzenesulfonamide

C20H25N3O6S — CID 18159261

IUPAC4-[[[2-(2-ethoxyphenoxy)acetyl]amino]carbamoyl]-N-propan-2-ylbenzenesulfonamide
SMILESCCOc1ccccc1OCC(=O)NNC(=O)c1ccc(S(=O)(=O)NC(C)C)cc1
InChIInChI=1S/C20H25N3O6S/c1-4-28-17-7-5-6-8-18(17)29-13-19(24)21-22-20(25)15-9-11-16(12-10-15)30(26,27)23-14(2)3/h5-12,14,23H,4,13H2,1-3H3,(H,21,24)(H,22,25)
InChIKeyZZVRMFCBSAKTLE-UHFFFAOYSA-N
MW435.50 g/mol
LogP1.61
Rot. Bonds9

About 4-[[[2-(2-ethoxyphenoxy)acetyl]amino]carbamoyl]-N-propan-2-ylbenzenesulfonamide

4-[[[2-(2-ethoxyphenoxy)acetyl]amino]carbamoyl]-N-propan-2-ylbenzenesulfonamide (PubChem CID 18159261) has the molecular formula C20H25N3O6S and a molecular weight of 435.50 g/mol. Its IUPAC name is 4-[[[2-(2-ethoxyphenoxy)acetyl]amino]carbamoyl]-N-propan-2-ylbenzenesulfonamide.

Molecular Properties

Compound Name4-[[[2-(2-ethoxyphenoxy)acetyl]amino]carbamoyl]-N-propan-2-ylbenzenesulfonamide
PubChem CID18159261
Molecular FormulaC20H25N3O6S
Molecular Weight435.50 g/mol
Exact Mass435.15
IUPAC Name4-[[[2-(2-ethoxyphenoxy)acetyl]amino]carbamoyl]-N-propan-2-ylbenzenesulfonamide
SMILESCCOc1ccccc1OCC(=O)NNC(=O)c1ccc(S(=O)(=O)NC(C)C)cc1
InChIInChI=1S/C20H25N3O6S/c1-4-28-17-7-5-6-8-18(17)29-13-19(24)21-22-20(25)15-9-11-16(12-10-15)30(26,27)23-14(2)3/h5-12,14,23H,4,13H2,1-3H3,(H,21,24)(H,22,25)
InChIKeyZZVRMFCBSAKTLE-UHFFFAOYSA-N
XLogP1.61
TPSA122.83 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds9
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500435.50
LogP ≤ 51.61
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

N'-[2-(2-ethoxyphenoxy)acetyl]-4-methylbenzohydrazide
CID 7918380
N'-[2-(2-ethoxyphenoxy)acetyl]-4-(3-methylbutoxy)benzohydrazide
CID 55334035
N'-[2-(2-butan-2-ylphenoxy)acetyl]-3,4,5-triethoxybenzohydrazide
CID 55486518
4-(difluoromethylsulfonyl)-N'-[2-(2-methoxyphenoxy)acetyl]benzohydrazide
CID 8696693
N'-[2-(2-ethoxyphenoxy)acetyl]-3,4-dimethylbenzohydrazide
CID 2102668
N-[(2R)-butan-2-yl]-4-[[(4-ethoxybenzoyl)amino]carbamoyl]benzenesulfonamide
CID 9492699
4-(3,4-dihydro-1H-isoquinolin-2-ylsulfonyl)-N'-[2-(2-ethoxyphenoxy)acetyl]benzohydrazide
CID 16547816
4-(benzamidocarbamoyl)-N-butan-2-ylbenzenesulfonamide
CID 46651946
N'-[2-(2-ethoxyphenoxy)acetyl]-3,4-dipropoxybenzohydrazide
CID 55358632
3,4-dichloro-N'-[2-(2-ethoxyphenoxy)acetyl]benzohydrazide
CID 2091621
[2-(2-benzoylhydrazinyl)-2-oxoethyl] 2-(2-ethoxyphenoxy)acetate
CID 7844494
6-chloro-N'-[2-(2-ethoxyphenoxy)acetyl]pyridine-3-carbohydrazide
CID 18287311

Frequently Asked Questions

What is the IUPAC name of 4-[[[2-(2-ethoxyphenoxy)acetyl]amino]carbamoyl]-N-propan-2-ylbenzenesulfonamide?
The IUPAC name of 4-[[[2-(2-ethoxyphenoxy)acetyl]amino]carbamoyl]-N-propan-2-ylbenzenesulfonamide (CID 18159261) is 4-[[[2-(2-ethoxyphenoxy)acetyl]amino]carbamoyl]-N-propan-2-ylbenzenesulfonamide.
What is the SMILES notation for 4-[[[2-(2-ethoxyphenoxy)acetyl]amino]carbamoyl]-N-propan-2-ylbenzenesulfonamide?
The canonical SMILES for 4-[[[2-(2-ethoxyphenoxy)acetyl]amino]carbamoyl]-N-propan-2-ylbenzenesulfonamide is CCOc1ccccc1OCC(=O)NNC(=O)c1ccc(S(=O)(=O)NC(C)C)cc1.
What is the InChIKey of 4-[[[2-(2-ethoxyphenoxy)acetyl]amino]carbamoyl]-N-propan-2-ylbenzenesulfonamide?
The InChIKey is ZZVRMFCBSAKTLE-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H25N3O6S/c1-4-28-17-7-5-6-8-18(17)29-13-19(24)21-22-20(25)15-9-11-16(12-10-15)30(26,27)23-14(2)3/h5-12,14,23H,4,13H2,1-3H3,(H,21,24)(H,22,25).
What are the key properties of 4-[[[2-(2-ethoxyphenoxy)acetyl]amino]carbamoyl]-N-propan-2-ylbenzenesulfonamide?
4-[[[2-(2-ethoxyphenoxy)acetyl]amino]carbamoyl]-N-propan-2-ylbenzenesulfonamide has a molecular weight of 435.50 g/mol, XLogP of 1.61, 9 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[[[2-(2-ethoxyphenoxy)acetyl]amino]carbamoyl]-N-propan-2-ylbenzenesulfonamide is sourced from PubChem (CID 18159261), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).