3-chloro-N-[4-(diethylamino)-3-(2-morpholin-4-ylethylsulfamoyl)phenyl]-2,2-dimethylpropanamide

C21H35ClN4O4S — CID 46110376

IUPAC3-chloro-N-[4-(diethylamino)-3-(2-morpholin-4-ylethylsulfamoyl)phenyl]-2,2-dimethylpropanamide
SMILESCCN(CC)c1ccc(NC(=O)C(C)(C)CCl)cc1S(=O)(=O)NCCN1CCOCC1
InChIInChI=1S/C21H35ClN4O4S/c1-5-26(6-2)18-8-7-17(24-20(27)21(3,4)16-22)15-19(18)31(28,29)23-9-10-25-11-13-30-14-12-25/h7-8,15,23H,5-6,9-14,16H2,1-4H3,(H,24,27)
InChIKeyQFSDLYQVGGWKAA-UHFFFAOYSA-N
MW475.06 g/mol
LogP2.35
Rot. Bonds11

About 3-chloro-N-[4-(diethylamino)-3-(2-morpholin-4-ylethylsulfamoyl)phenyl]-2,2-dimethylpropanamide

3-chloro-N-[4-(diethylamino)-3-(2-morpholin-4-ylethylsulfamoyl)phenyl]-2,2-dimethylpropanamide (PubChem CID 46110376) has the molecular formula C21H35ClN4O4S and a molecular weight of 475.06 g/mol. Its IUPAC name is 3-chloro-N-[4-(diethylamino)-3-(2-morpholin-4-ylethylsulfamoyl)phenyl]-2,2-dimethylpropanamide.

Molecular Properties

Compound Name3-chloro-N-[4-(diethylamino)-3-(2-morpholin-4-ylethylsulfamoyl)phenyl]-2,2-dimethylpropanamide
PubChem CID46110376
Molecular FormulaC21H35ClN4O4S
Molecular Weight475.06 g/mol
Exact Mass474.21
IUPAC Name3-chloro-N-[4-(diethylamino)-3-(2-morpholin-4-ylethylsulfamoyl)phenyl]-2,2-dimethylpropanamide
SMILESCCN(CC)c1ccc(NC(=O)C(C)(C)CCl)cc1S(=O)(=O)NCCN1CCOCC1
InChIInChI=1S/C21H35ClN4O4S/c1-5-26(6-2)18-8-7-17(24-20(27)21(3,4)16-22)15-19(18)31(28,29)23-9-10-25-11-13-30-14-12-25/h7-8,15,23H,5-6,9-14,16H2,1-4H3,(H,24,27)
InChIKeyQFSDLYQVGGWKAA-UHFFFAOYSA-N
XLogP2.35
TPSA90.98 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds11
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500475.06
LogP ≤ 52.35
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_A(478)', 'substructure': 'N/A'}, {'alert_name': 'alkyl_halide', 'substructure': 'N/A'}

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Related Compounds

3-chloro-N-[4-[4-(2-methoxyphenyl)piperazin-1-yl]-3-(2-morpholin-4-ylethylsulfamoyl)phenyl]-2,2-dimethylpropanamide
CID 46110398
3-fluoro-4-(2-morpholin-4-ylethylsulfamoyl)benzoic acid
CID 154741645
5-[[4-methoxy-3-(2-morpholin-4-ylethylsulfamoyl)benzoyl]amino]-2-[2-[4-[[4-methoxy-3-(2-morpholin-4-ylethylsulfamoyl)benzoyl]amino]-2-sulfophenyl]ethenyl]benzenesulfonic acid
CID 54426454
4-tert-butyl-N-(2-morpholin-4-ylethyl)benzenesulfonamide;oxalic acid
CID 56603480
3-(diethylamino)-N-(2-morpholin-4-ylethyl)-1,4-dioxonaphthalene-2-sulfonamide
CID 25048133
2,2-dimethyl-N-[3-[4-[2-(morpholin-4-ylsulfonylamino)ethyl]piperazine-1-carbonyl]phenyl]propanamide
CID 51132032
2-benzoyl-N-(2-morpholin-4-ylethyl)benzenesulfonamide;hydrochloride
CID 3086747
2-[4-(diethylamino)anilino]-N-(2-morpholin-4-ylethyl)acetamide
CID 108994999
N-[4-(diethylamino)phenyl]-3-(2-morpholin-4-ylethylamino)propanamide
CID 109016821
2,5-dimethyl-N-(2-morpholin-4-ylethyl)thiophene-3-sulfonamide chloride
CID 53314568
N-[4-(diethylamino)phenyl]-2,2-dimethyl-3-morpholin-4-yl-3-oxopropanamide
CID 108959945
4-fluoro-3-(3-morpholin-4-ylpropylsulfamoyl)benzoic acid
CID 4135399

Frequently Asked Questions

What is the IUPAC name of 3-chloro-N-[4-(diethylamino)-3-(2-morpholin-4-ylethylsulfamoyl)phenyl]-2,2-dimethylpropanamide?
The IUPAC name of 3-chloro-N-[4-(diethylamino)-3-(2-morpholin-4-ylethylsulfamoyl)phenyl]-2,2-dimethylpropanamide (CID 46110376) is 3-chloro-N-[4-(diethylamino)-3-(2-morpholin-4-ylethylsulfamoyl)phenyl]-2,2-dimethylpropanamide.
What is the SMILES notation for 3-chloro-N-[4-(diethylamino)-3-(2-morpholin-4-ylethylsulfamoyl)phenyl]-2,2-dimethylpropanamide?
The canonical SMILES for 3-chloro-N-[4-(diethylamino)-3-(2-morpholin-4-ylethylsulfamoyl)phenyl]-2,2-dimethylpropanamide is CCN(CC)c1ccc(NC(=O)C(C)(C)CCl)cc1S(=O)(=O)NCCN1CCOCC1.
What is the InChIKey of 3-chloro-N-[4-(diethylamino)-3-(2-morpholin-4-ylethylsulfamoyl)phenyl]-2,2-dimethylpropanamide?
The InChIKey is QFSDLYQVGGWKAA-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H35ClN4O4S/c1-5-26(6-2)18-8-7-17(24-20(27)21(3,4)16-22)15-19(18)31(28,29)23-9-10-25-11-13-30-14-12-25/h7-8,15,23H,5-6,9-14,16H2,1-4H3,(H,24,27).
What are the key properties of 3-chloro-N-[4-(diethylamino)-3-(2-morpholin-4-ylethylsulfamoyl)phenyl]-2,2-dimethylpropanamide?
3-chloro-N-[4-(diethylamino)-3-(2-morpholin-4-ylethylsulfamoyl)phenyl]-2,2-dimethylpropanamide has a molecular weight of 475.06 g/mol, XLogP of 2.35, 11 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-chloro-N-[4-(diethylamino)-3-(2-morpholin-4-ylethylsulfamoyl)phenyl]-2,2-dimethylpropanamide is sourced from PubChem (CID 46110376), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).