N-[2-[2-(diethylamino)ethoxy]phenyl]-3-(prop-2-ynylsulfamoyl)benzamide

C22H27N3O4S — CID 55964801

IUPACN-[2-[2-(diethylamino)ethoxy]phenyl]-3-(prop-2-ynylsulfamoyl)benzamide
SMILESC#CCNS(=O)(=O)c1cccc(C(=O)Nc2ccccc2OCCN(CC)CC)c1
InChIInChI=1S/C22H27N3O4S/c1-4-14-23-30(27,28)19-11-9-10-18(17-19)22(26)24-20-12-7-8-13-21(20)29-16-15-25(5-2)6-3/h1,7-13,17,23H,5-6,14-16H2,2-3H3,(H,24,26)
InChIKeyOQAXZVQBBGXXPZ-UHFFFAOYSA-N
MW429.54 g/mol
LogP2.57
Rot. Bonds11

About N-[2-[2-(diethylamino)ethoxy]phenyl]-3-(prop-2-ynylsulfamoyl)benzamide

N-[2-[2-(diethylamino)ethoxy]phenyl]-3-(prop-2-ynylsulfamoyl)benzamide (PubChem CID 55964801) has the molecular formula C22H27N3O4S and a molecular weight of 429.54 g/mol. Its IUPAC name is N-[2-[2-(diethylamino)ethoxy]phenyl]-3-(prop-2-ynylsulfamoyl)benzamide.

Molecular Properties

Compound NameN-[2-[2-(diethylamino)ethoxy]phenyl]-3-(prop-2-ynylsulfamoyl)benzamide
PubChem CID55964801
Molecular FormulaC22H27N3O4S
Molecular Weight429.54 g/mol
Exact Mass429.17
IUPAC NameN-[2-[2-(diethylamino)ethoxy]phenyl]-3-(prop-2-ynylsulfamoyl)benzamide
SMILESC#CCNS(=O)(=O)c1cccc(C(=O)Nc2ccccc2OCCN(CC)CC)c1
InChIInChI=1S/C22H27N3O4S/c1-4-14-23-30(27,28)19-11-9-10-18(17-19)22(26)24-20-12-7-8-13-21(20)29-16-15-25(5-2)6-3/h1,7-13,17,23H,5-6,14-16H2,2-3H3,(H,24,26)
InChIKeyOQAXZVQBBGXXPZ-UHFFFAOYSA-N
XLogP2.57
TPSA87.74 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds11
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500429.54
LogP ≤ 52.57
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

N-(2-propan-2-yloxyphenyl)-3-(prop-2-ynylsulfamoyl)benzamide
CID 39498618
3-[cyclohexyl(methyl)sulfamoyl]-N-[2-[2-(diethylamino)ethoxy]phenyl]benzamide
CID 55528915
N-(2-ethoxyphenyl)-3-(propylsulfamoyl)benzamide
CID 109061947
3-(diethylsulfamoyl)-N-(2-ethoxyphenyl)benzamide
CID 2591095
N-phenyl-3-(prop-2-ynylsulfamoyl)benzamide
CID 46664277
3-[ethyl(phenyl)sulfamoyl]-N-(2-propoxyphenyl)benzamide
CID 112793585
N-[2-[2-(diethylamino)ethoxy]phenyl]-3-[2-(dimethylamino)-2-oxoethoxy]benzamide
CID 55775696
3-(dimethylsulfamoyl)-N-(2-ethoxyphenyl)benzamide
CID 2591093
3-(dipropylsulfamoyl)-N-(2-ethoxyphenyl)benzamide
CID 2591009
N-(4-fluorophenyl)-3-(prop-2-ynylsulfamoyl)benzamide
CID 27006401
methyl N-[4-[[3-(prop-2-ynylsulfamoyl)benzoyl]amino]phenyl]carbamate
CID 55855583
N-ethyl-3-[[3-(prop-2-ynylsulfamoyl)benzoyl]amino]benzamide
CID 46524259

Frequently Asked Questions

What is the IUPAC name of N-[2-[2-(diethylamino)ethoxy]phenyl]-3-(prop-2-ynylsulfamoyl)benzamide?
The IUPAC name of N-[2-[2-(diethylamino)ethoxy]phenyl]-3-(prop-2-ynylsulfamoyl)benzamide (CID 55964801) is N-[2-[2-(diethylamino)ethoxy]phenyl]-3-(prop-2-ynylsulfamoyl)benzamide.
What is the SMILES notation for N-[2-[2-(diethylamino)ethoxy]phenyl]-3-(prop-2-ynylsulfamoyl)benzamide?
The canonical SMILES for N-[2-[2-(diethylamino)ethoxy]phenyl]-3-(prop-2-ynylsulfamoyl)benzamide is C#CCNS(=O)(=O)c1cccc(C(=O)Nc2ccccc2OCCN(CC)CC)c1.
What is the InChIKey of N-[2-[2-(diethylamino)ethoxy]phenyl]-3-(prop-2-ynylsulfamoyl)benzamide?
The InChIKey is OQAXZVQBBGXXPZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H27N3O4S/c1-4-14-23-30(27,28)19-11-9-10-18(17-19)22(26)24-20-12-7-8-13-21(20)29-16-15-25(5-2)6-3/h1,7-13,17,23H,5-6,14-16H2,2-3H3,(H,24,26).
What are the key properties of N-[2-[2-(diethylamino)ethoxy]phenyl]-3-(prop-2-ynylsulfamoyl)benzamide?
N-[2-[2-(diethylamino)ethoxy]phenyl]-3-(prop-2-ynylsulfamoyl)benzamide has a molecular weight of 429.54 g/mol, XLogP of 2.57, 11 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[2-(diethylamino)ethoxy]phenyl]-3-(prop-2-ynylsulfamoyl)benzamide is sourced from PubChem (CID 55964801), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).