2,2-dimethyl-N-[3-[4-[2-(morpholin-4-ylsulfonylamino)ethyl]piperazine-1-carbonyl]phenyl]propanamide

C22H35N5O5S — CID 51132032

IUPAC2,2-dimethyl-N-[3-[4-[2-(morpholin-4-ylsulfonylamino)ethyl]piperazine-1-carbonyl]phenyl]propanamide
SMILESCC(C)(C)C(=O)Nc1cccc(C(=O)N2CCN(CCNS(=O)(=O)N3CCOCC3)CC2)c1
InChIInChI=1S/C22H35N5O5S/c1-22(2,3)21(29)24-19-6-4-5-18(17-19)20(28)26-11-9-25(10-12-26)8-7-23-33(30,31)27-13-15-32-16-14-27/h4-6,17,23H,7-16H2,1-3H3,(H,24,29)
InChIKeyXAEHTRLARUQVLQ-UHFFFAOYSA-N
MW481.62 g/mol
LogP0.60
Rot. Bonds7

About 2,2-dimethyl-N-[3-[4-[2-(morpholin-4-ylsulfonylamino)ethyl]piperazine-1-carbonyl]phenyl]propanamide

2,2-dimethyl-N-[3-[4-[2-(morpholin-4-ylsulfonylamino)ethyl]piperazine-1-carbonyl]phenyl]propanamide (PubChem CID 51132032) has the molecular formula C22H35N5O5S and a molecular weight of 481.62 g/mol. Its IUPAC name is 2,2-dimethyl-N-[3-[4-[2-(morpholin-4-ylsulfonylamino)ethyl]piperazine-1-carbonyl]phenyl]propanamide.

Molecular Properties

Compound Name2,2-dimethyl-N-[3-[4-[2-(morpholin-4-ylsulfonylamino)ethyl]piperazine-1-carbonyl]phenyl]propanamide
PubChem CID51132032
Molecular FormulaC22H35N5O5S
Molecular Weight481.62 g/mol
Exact Mass481.24
IUPAC Name2,2-dimethyl-N-[3-[4-[2-(morpholin-4-ylsulfonylamino)ethyl]piperazine-1-carbonyl]phenyl]propanamide
SMILESCC(C)(C)C(=O)Nc1cccc(C(=O)N2CCN(CCNS(=O)(=O)N3CCOCC3)CC2)c1
InChIInChI=1S/C22H35N5O5S/c1-22(2,3)21(29)24-19-6-4-5-18(17-19)20(28)26-11-9-25(10-12-26)8-7-23-33(30,31)27-13-15-32-16-14-27/h4-6,17,23H,7-16H2,1-3H3,(H,24,29)
InChIKeyXAEHTRLARUQVLQ-UHFFFAOYSA-N
XLogP0.60
TPSA111.29 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500481.62
LogP ≤ 50.60
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

N-[3-[4-(furan-2-carbonyl)piperazine-1-carbonyl]phenyl]-2,2-dimethylpropanamide
CID 34471106
2,2-dimethyl-N-[3-[4-[(2-methylphenyl)methyl]piperazine-1-carbonyl]phenyl]propanamide
CID 30535421
N-[3-[4-[(2-fluorophenyl)methyl]piperazine-1-carbonyl]phenyl]-2,2-dimethylpropanamide
CID 30476118
N-[3-(4-hydroxypiperidine-1-carbonyl)phenyl]-2,2-dimethylpropanamide
CID 110884052
1-tert-butyl-3-[3-(morpholine-4-carbonyl)phenyl]urea
CID 78894338
2,2-dimethyl-N-[3-(2-methylmorpholine-4-carbonyl)phenyl]propanamide
CID 110352930
2-bromo-N-[3-(morpholine-4-carbonyl)phenyl]acetamide
CID 46736679
tert-butyl N-[3-[4-(2-methylsulfonylethyl)piperazine-1-carbonyl]phenyl]carbamate
CID 56534026
N-[3-[4-(2-aminoethyl)piperazine-1-carbonyl]phenyl]acetamide
CID 82354357
2,2-dimethyl-N-[3-[[2-oxo-2-[3-(piperidine-1-carbonyl)anilino]ethyl]amino]phenyl]propanamide
CID 54835732
N-[3-[4-(1,3-benzothiazol-2-ylmethyl)piperazine-1-carbonyl]phenyl]-2,2-dimethylpropanamide
CID 99179828
2-methyl-N-[3-(morpholine-4-carbonyl)phenyl]propanamide
CID 4094749

Frequently Asked Questions

What is the IUPAC name of 2,2-dimethyl-N-[3-[4-[2-(morpholin-4-ylsulfonylamino)ethyl]piperazine-1-carbonyl]phenyl]propanamide?
The IUPAC name of 2,2-dimethyl-N-[3-[4-[2-(morpholin-4-ylsulfonylamino)ethyl]piperazine-1-carbonyl]phenyl]propanamide (CID 51132032) is 2,2-dimethyl-N-[3-[4-[2-(morpholin-4-ylsulfonylamino)ethyl]piperazine-1-carbonyl]phenyl]propanamide.
What is the SMILES notation for 2,2-dimethyl-N-[3-[4-[2-(morpholin-4-ylsulfonylamino)ethyl]piperazine-1-carbonyl]phenyl]propanamide?
The canonical SMILES for 2,2-dimethyl-N-[3-[4-[2-(morpholin-4-ylsulfonylamino)ethyl]piperazine-1-carbonyl]phenyl]propanamide is CC(C)(C)C(=O)Nc1cccc(C(=O)N2CCN(CCNS(=O)(=O)N3CCOCC3)CC2)c1.
What is the InChIKey of 2,2-dimethyl-N-[3-[4-[2-(morpholin-4-ylsulfonylamino)ethyl]piperazine-1-carbonyl]phenyl]propanamide?
The InChIKey is XAEHTRLARUQVLQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H35N5O5S/c1-22(2,3)21(29)24-19-6-4-5-18(17-19)20(28)26-11-9-25(10-12-26)8-7-23-33(30,31)27-13-15-32-16-14-27/h4-6,17,23H,7-16H2,1-3H3,(H,24,29).
What are the key properties of 2,2-dimethyl-N-[3-[4-[2-(morpholin-4-ylsulfonylamino)ethyl]piperazine-1-carbonyl]phenyl]propanamide?
2,2-dimethyl-N-[3-[4-[2-(morpholin-4-ylsulfonylamino)ethyl]piperazine-1-carbonyl]phenyl]propanamide has a molecular weight of 481.62 g/mol, XLogP of 0.60, 7 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2-dimethyl-N-[3-[4-[2-(morpholin-4-ylsulfonylamino)ethyl]piperazine-1-carbonyl]phenyl]propanamide is sourced from PubChem (CID 51132032), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).