N-[2-(diethylamino)-5-morpholin-4-ylsulfonylphenyl]cyclopropanecarboxamide

C18H27N3O4S — CID 8932874

IUPACN-[2-(diethylamino)-5-morpholin-4-ylsulfonylphenyl]cyclopropanecarboxamide
SMILESCCN(CC)c1ccc(S(=O)(=O)N2CCOCC2)cc1NC(=O)C1CC1
InChIInChI=1S/C18H27N3O4S/c1-3-20(4-2)17-8-7-15(13-16(17)19-18(22)14-5-6-14)26(23,24)21-9-11-25-12-10-21/h7-8,13-14H,3-6,9-12H2,1-2H3,(H,19,22)
InChIKeySKYUELQFIYMZLS-UHFFFAOYSA-N
MW381.50 g/mol
LogP1.90
Rot. Bonds7

About N-[2-(diethylamino)-5-morpholin-4-ylsulfonylphenyl]cyclopropanecarboxamide

N-[2-(diethylamino)-5-morpholin-4-ylsulfonylphenyl]cyclopropanecarboxamide (PubChem CID 8932874) has the molecular formula C18H27N3O4S and a molecular weight of 381.50 g/mol. Its IUPAC name is N-[2-(diethylamino)-5-morpholin-4-ylsulfonylphenyl]cyclopropanecarboxamide.

Molecular Properties

Compound NameN-[2-(diethylamino)-5-morpholin-4-ylsulfonylphenyl]cyclopropanecarboxamide
PubChem CID8932874
Molecular FormulaC18H27N3O4S
Molecular Weight381.50 g/mol
Exact Mass381.17
IUPAC NameN-[2-(diethylamino)-5-morpholin-4-ylsulfonylphenyl]cyclopropanecarboxamide
SMILESCCN(CC)c1ccc(S(=O)(=O)N2CCOCC2)cc1NC(=O)C1CC1
InChIInChI=1S/C18H27N3O4S/c1-3-20(4-2)17-8-7-15(13-16(17)19-18(22)14-5-6-14)26(23,24)21-9-11-25-12-10-21/h7-8,13-14H,3-6,9-12H2,1-2H3,(H,19,22)
InChIKeySKYUELQFIYMZLS-UHFFFAOYSA-N
XLogP1.90
TPSA78.95 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500381.50
LogP ≤ 51.90
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-[2-(diethylamino)-5-morpholin-4-ylsulfonylphenyl]cyclopropanecarboxamide?
The IUPAC name of N-[2-(diethylamino)-5-morpholin-4-ylsulfonylphenyl]cyclopropanecarboxamide (CID 8932874) is N-[2-(diethylamino)-5-morpholin-4-ylsulfonylphenyl]cyclopropanecarboxamide.
What is the SMILES notation for N-[2-(diethylamino)-5-morpholin-4-ylsulfonylphenyl]cyclopropanecarboxamide?
The canonical SMILES for N-[2-(diethylamino)-5-morpholin-4-ylsulfonylphenyl]cyclopropanecarboxamide is CCN(CC)c1ccc(S(=O)(=O)N2CCOCC2)cc1NC(=O)C1CC1.
What is the InChIKey of N-[2-(diethylamino)-5-morpholin-4-ylsulfonylphenyl]cyclopropanecarboxamide?
The InChIKey is SKYUELQFIYMZLS-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H27N3O4S/c1-3-20(4-2)17-8-7-15(13-16(17)19-18(22)14-5-6-14)26(23,24)21-9-11-25-12-10-21/h7-8,13-14H,3-6,9-12H2,1-2H3,(H,19,22).
What are the key properties of N-[2-(diethylamino)-5-morpholin-4-ylsulfonylphenyl]cyclopropanecarboxamide?
N-[2-(diethylamino)-5-morpholin-4-ylsulfonylphenyl]cyclopropanecarboxamide has a molecular weight of 381.50 g/mol, XLogP of 1.90, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(diethylamino)-5-morpholin-4-ylsulfonylphenyl]cyclopropanecarboxamide is sourced from PubChem (CID 8932874), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).