N-[2-(diethylamino)-5-morpholin-4-ylsulfonylphenyl]-2-(1-phenylpyrazol-4-yl)acetamide

C25H31N5O4S — CID 30345312

IUPACN-[2-(diethylamino)-5-morpholin-4-ylsulfonylphenyl]-2-(1-phenylpyrazol-4-yl)acetamide
SMILESCCN(CC)c1ccc(S(=O)(=O)N2CCOCC2)cc1NC(=O)Cc1cnn(-c2ccccc2)c1
InChIInChI=1S/C25H31N5O4S/c1-3-28(4-2)24-11-10-22(35(32,33)29-12-14-34-15-13-29)17-23(24)27-25(31)16-20-18-26-30(19-20)21-8-6-5-7-9-21/h5-11,17-19H,3-4,12-16H2,1-2H3,(H,27,31)
InChIKeyPSWHLNMTCOYSES-UHFFFAOYSA-N
MW497.62 g/mol
LogP2.92
Rot. Bonds9

About N-[2-(diethylamino)-5-morpholin-4-ylsulfonylphenyl]-2-(1-phenylpyrazol-4-yl)acetamide

N-[2-(diethylamino)-5-morpholin-4-ylsulfonylphenyl]-2-(1-phenylpyrazol-4-yl)acetamide (PubChem CID 30345312) has the molecular formula C25H31N5O4S and a molecular weight of 497.62 g/mol. Its IUPAC name is N-[2-(diethylamino)-5-morpholin-4-ylsulfonylphenyl]-2-(1-phenylpyrazol-4-yl)acetamide.

Molecular Properties

Compound NameN-[2-(diethylamino)-5-morpholin-4-ylsulfonylphenyl]-2-(1-phenylpyrazol-4-yl)acetamide
PubChem CID30345312
Molecular FormulaC25H31N5O4S
Molecular Weight497.62 g/mol
Exact Mass497.21
IUPAC NameN-[2-(diethylamino)-5-morpholin-4-ylsulfonylphenyl]-2-(1-phenylpyrazol-4-yl)acetamide
SMILESCCN(CC)c1ccc(S(=O)(=O)N2CCOCC2)cc1NC(=O)Cc1cnn(-c2ccccc2)c1
InChIInChI=1S/C25H31N5O4S/c1-3-28(4-2)24-11-10-22(35(32,33)29-12-14-34-15-13-29)17-23(24)27-25(31)16-20-18-26-30(19-20)21-8-6-5-7-9-21/h5-11,17-19H,3-4,12-16H2,1-2H3,(H,27,31)
InChIKeyPSWHLNMTCOYSES-UHFFFAOYSA-N
XLogP2.92
TPSA96.77 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds9
Heavy Atoms35
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500497.62
LogP ≤ 52.92
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Related Compounds

N-(5-morpholin-4-ylsulfonyl-2-propan-2-yloxyphenyl)-2-(1-phenylpyrazol-4-yl)acetamide
CID 16614522
2-(2-chlorophenyl)-N-[2-(diethylamino)-5-morpholin-4-ylsulfonylphenyl]acetamide
CID 29194893
N-[2-(diethylamino)-5-morpholin-4-ylsulfonylphenyl]-2-(pyridin-3-ylmethylsulfanyl)acetamide
CID 55667277
N-[2-(diethylamino)-5-morpholin-4-ylsulfonylphenyl]-2-(2-methylphenyl)sulfanylacetamide
CID 42965288
N-[2-(diethylamino)-5-morpholin-4-ylsulfonylphenyl]-2-(trifluoromethylsulfanyl)acetamide
CID 55667278
N-[2-(diethylamino)-5-morpholin-4-ylsulfonylphenyl]-3-(2-fluorophenyl)propanamide
CID 55363274
2-(benzotriazol-1-yl)-N-[2-(diethylamino)-5-morpholin-4-ylsulfonylphenyl]acetamide
CID 55370605
N-[2-(diethylamino)-5-morpholin-4-ylsulfonylphenyl]-2-phenylsulfanylpropanamide
CID 46796637
N-[2-(diethylamino)-5-morpholin-4-ylsulfonylphenyl]-2-(2-propan-2-ylphenoxy)acetamide
CID 30587513
N-[2-(diethylamino)-5-morpholin-4-ylsulfonylphenyl]-2-(4-methylphenoxy)acetamide
CID 30587504
N-[2-(diethylamino)-5-morpholin-4-ylsulfonylphenyl]-2-[furan-2-ylmethyl(methyl)amino]acetamide
CID 29431549
N-[2-(diethylamino)-5-morpholin-4-ylsulfonylphenyl]-5-methyl-3-phenyl-1,2-oxazole-4-carboxamide
CID 29251421

Frequently Asked Questions

What is the IUPAC name of N-[2-(diethylamino)-5-morpholin-4-ylsulfonylphenyl]-2-(1-phenylpyrazol-4-yl)acetamide?
The IUPAC name of N-[2-(diethylamino)-5-morpholin-4-ylsulfonylphenyl]-2-(1-phenylpyrazol-4-yl)acetamide (CID 30345312) is N-[2-(diethylamino)-5-morpholin-4-ylsulfonylphenyl]-2-(1-phenylpyrazol-4-yl)acetamide.
What is the SMILES notation for N-[2-(diethylamino)-5-morpholin-4-ylsulfonylphenyl]-2-(1-phenylpyrazol-4-yl)acetamide?
The canonical SMILES for N-[2-(diethylamino)-5-morpholin-4-ylsulfonylphenyl]-2-(1-phenylpyrazol-4-yl)acetamide is CCN(CC)c1ccc(S(=O)(=O)N2CCOCC2)cc1NC(=O)Cc1cnn(-c2ccccc2)c1.
What is the InChIKey of N-[2-(diethylamino)-5-morpholin-4-ylsulfonylphenyl]-2-(1-phenylpyrazol-4-yl)acetamide?
The InChIKey is PSWHLNMTCOYSES-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H31N5O4S/c1-3-28(4-2)24-11-10-22(35(32,33)29-12-14-34-15-13-29)17-23(24)27-25(31)16-20-18-26-30(19-20)21-8-6-5-7-9-21/h5-11,17-19H,3-4,12-16H2,1-2H3,(H,27,31).
What are the key properties of N-[2-(diethylamino)-5-morpholin-4-ylsulfonylphenyl]-2-(1-phenylpyrazol-4-yl)acetamide?
N-[2-(diethylamino)-5-morpholin-4-ylsulfonylphenyl]-2-(1-phenylpyrazol-4-yl)acetamide has a molecular weight of 497.62 g/mol, XLogP of 2.92, 9 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(diethylamino)-5-morpholin-4-ylsulfonylphenyl]-2-(1-phenylpyrazol-4-yl)acetamide is sourced from PubChem (CID 30345312), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).