3-[[(3-methoxy-4-propoxybenzoyl)amino]carbamoyl]-N-methyl-N-propan-2-ylbenzenesulfonamide

C22H29N3O6S — CID 26621722

IUPAC3-[[(3-methoxy-4-propoxybenzoyl)amino]carbamoyl]-N-methyl-N-propan-2-ylbenzenesulfonamide
SMILESCCCOc1ccc(C(=O)NNC(=O)c2cccc(S(=O)(=O)N(C)C(C)C)c2)cc1OC
InChIInChI=1S/C22H29N3O6S/c1-6-12-31-19-11-10-17(14-20(19)30-5)22(27)24-23-21(26)16-8-7-9-18(13-16)32(28,29)25(4)15(2)3/h7-11,13-15H,6,12H2,1-5H3,(H,23,26)(H,24,27)
InChIKeyKWTCXPSBWQUGRR-UHFFFAOYSA-N
MW463.56 g/mol
LogP2.59
Rot. Bonds9

About 3-[[(3-methoxy-4-propoxybenzoyl)amino]carbamoyl]-N-methyl-N-propan-2-ylbenzenesulfonamide

3-[[(3-methoxy-4-propoxybenzoyl)amino]carbamoyl]-N-methyl-N-propan-2-ylbenzenesulfonamide (PubChem CID 26621722) has the molecular formula C22H29N3O6S and a molecular weight of 463.56 g/mol. Its IUPAC name is 3-[[(3-methoxy-4-propoxybenzoyl)amino]carbamoyl]-N-methyl-N-propan-2-ylbenzenesulfonamide.

Molecular Properties

Compound Name3-[[(3-methoxy-4-propoxybenzoyl)amino]carbamoyl]-N-methyl-N-propan-2-ylbenzenesulfonamide
PubChem CID26621722
Molecular FormulaC22H29N3O6S
Molecular Weight463.56 g/mol
Exact Mass463.18
IUPAC Name3-[[(3-methoxy-4-propoxybenzoyl)amino]carbamoyl]-N-methyl-N-propan-2-ylbenzenesulfonamide
SMILESCCCOc1ccc(C(=O)NNC(=O)c2cccc(S(=O)(=O)N(C)C(C)C)c2)cc1OC
InChIInChI=1S/C22H29N3O6S/c1-6-12-31-19-11-10-17(14-20(19)30-5)22(27)24-23-21(26)16-8-7-9-18(13-16)32(28,29)25(4)15(2)3/h7-11,13-15H,6,12H2,1-5H3,(H,23,26)(H,24,27)
InChIKeyKWTCXPSBWQUGRR-UHFFFAOYSA-N
XLogP2.59
TPSA114.04 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds9
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500463.56
LogP ≤ 52.59
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Related Compounds

3-methoxy-4-propoxy-N'-(3-pyrrolidin-1-ylsulfonylbenzoyl)benzohydrazide
CID 26621859
N'-(3-chlorobenzoyl)-3-methoxy-4-propoxybenzohydrazide
CID 26621830
3-[[1-(3,4-dimethoxyphenyl)ethenylamino]carbamoyl]-N,N-diethylbenzenesulfonamide
CID 2692154
N'-[4-(dimethylamino)benzoyl]-3-methoxy-4-propoxybenzohydrazide
CID 25443040
N'-(3-cyanobenzoyl)-3-methoxy-4-propoxybenzohydrazide
CID 9440251
N-[1-(3,4-dipropoxyphenyl)ethyl]-3-[methoxy(methyl)sulfamoyl]benzamide
CID 46421231
3-[methyl(propan-2-yl)sulfamoyl]-N-propylbenzamide
CID 30878906
N-[(2-methoxyphenyl)methyl]-3-[methyl(propan-2-yl)sulfamoyl]benzamide
CID 26734370
4-ethoxy-3-methoxy-N'-(3-propoxybenzoyl)benzohydrazide
CID 46490811
4-butoxy-3-methoxy-N'-(4-propan-2-ylsulfonylbenzoyl)benzohydrazide
CID 46490716
N'-benzoyl-4-butoxy-3-methoxybenzohydrazide
CID 9440054
2,3,4-trimethoxy-N'-(3-methoxy-4-propoxybenzoyl)benzohydrazide
CID 9440197

Frequently Asked Questions

What is the IUPAC name of 3-[[(3-methoxy-4-propoxybenzoyl)amino]carbamoyl]-N-methyl-N-propan-2-ylbenzenesulfonamide?
The IUPAC name of 3-[[(3-methoxy-4-propoxybenzoyl)amino]carbamoyl]-N-methyl-N-propan-2-ylbenzenesulfonamide (CID 26621722) is 3-[[(3-methoxy-4-propoxybenzoyl)amino]carbamoyl]-N-methyl-N-propan-2-ylbenzenesulfonamide.
What is the SMILES notation for 3-[[(3-methoxy-4-propoxybenzoyl)amino]carbamoyl]-N-methyl-N-propan-2-ylbenzenesulfonamide?
The canonical SMILES for 3-[[(3-methoxy-4-propoxybenzoyl)amino]carbamoyl]-N-methyl-N-propan-2-ylbenzenesulfonamide is CCCOc1ccc(C(=O)NNC(=O)c2cccc(S(=O)(=O)N(C)C(C)C)c2)cc1OC.
What is the InChIKey of 3-[[(3-methoxy-4-propoxybenzoyl)amino]carbamoyl]-N-methyl-N-propan-2-ylbenzenesulfonamide?
The InChIKey is KWTCXPSBWQUGRR-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H29N3O6S/c1-6-12-31-19-11-10-17(14-20(19)30-5)22(27)24-23-21(26)16-8-7-9-18(13-16)32(28,29)25(4)15(2)3/h7-11,13-15H,6,12H2,1-5H3,(H,23,26)(H,24,27).
What are the key properties of 3-[[(3-methoxy-4-propoxybenzoyl)amino]carbamoyl]-N-methyl-N-propan-2-ylbenzenesulfonamide?
3-[[(3-methoxy-4-propoxybenzoyl)amino]carbamoyl]-N-methyl-N-propan-2-ylbenzenesulfonamide has a molecular weight of 463.56 g/mol, XLogP of 2.59, 9 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[[(3-methoxy-4-propoxybenzoyl)amino]carbamoyl]-N-methyl-N-propan-2-ylbenzenesulfonamide is sourced from PubChem (CID 26621722), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).