N-(4-morpholin-4-ylsulfonylphenyl)-2-pyridin-3-ylcyclopropane-1-carboxamide

C19H21N3O4S — CID 90135037

IUPACN-(4-morpholin-4-ylsulfonylphenyl)-2-pyridin-3-ylcyclopropane-1-carboxamide
SMILESO=C(Nc1ccc(S(=O)(=O)N2CCOCC2)cc1)C1CC1c1cccnc1
InChIInChI=1S/C19H21N3O4S/c23-19(18-12-17(18)14-2-1-7-20-13-14)21-15-3-5-16(6-4-15)27(24,25)22-8-10-26-11-9-22/h1-7,13,17-18H,8-12H2,(H,21,23)
InChIKeyMYECPKSDXBBINM-UHFFFAOYSA-N
MW387.46 g/mol
LogP1.84
Rot. Bonds5

About N-(4-morpholin-4-ylsulfonylphenyl)-2-pyridin-3-ylcyclopropane-1-carboxamide

N-(4-morpholin-4-ylsulfonylphenyl)-2-pyridin-3-ylcyclopropane-1-carboxamide (PubChem CID 90135037) has the molecular formula C19H21N3O4S and a molecular weight of 387.46 g/mol. Its IUPAC name is N-(4-morpholin-4-ylsulfonylphenyl)-2-pyridin-3-ylcyclopropane-1-carboxamide.

Molecular Properties

Compound NameN-(4-morpholin-4-ylsulfonylphenyl)-2-pyridin-3-ylcyclopropane-1-carboxamide
PubChem CID90135037
Molecular FormulaC19H21N3O4S
Molecular Weight387.46 g/mol
Exact Mass387.13
IUPAC NameN-(4-morpholin-4-ylsulfonylphenyl)-2-pyridin-3-ylcyclopropane-1-carboxamide
SMILESO=C(Nc1ccc(S(=O)(=O)N2CCOCC2)cc1)C1CC1c1cccnc1
InChIInChI=1S/C19H21N3O4S/c23-19(18-12-17(18)14-2-1-7-20-13-14)21-15-3-5-16(6-4-15)27(24,25)22-8-10-26-11-9-22/h1-7,13,17-18H,8-12H2,(H,21,23)
InChIKeyMYECPKSDXBBINM-UHFFFAOYSA-N
XLogP1.84
TPSA88.60 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500387.46
LogP ≤ 51.84
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

trans-(1S,2S)-2-(furan-2-yl)-N-(4-morpholin-4-ylsulfonylphenyl)cyclopropane-1-carboxamide
CID 52518250
cis-(1S,2R)-2-(furan-2-yl)-N-(4-morpholin-4-ylsulfonylphenyl)cyclopropane-1-carboxamide
CID 52518249
N-[4-[(6-methyl-3-pyridinyl)sulfonyl]phenyl]-2-pyridin-3-ylcyclopropane-1-carboxamide
CID 123586966
N-(4-morpholin-4-ylphenyl)-1-pyridin-3-ylsulfonylpiperidine-4-carboxamide
CID 30885894
(2R)-N-(4-morpholin-4-ylsulfonylphenyl)oxolane-2-carboxamide
CID 975970
trans-(1R,2R)-N-[1-(1-methylpiperidin-4-yl)pyrazol-4-yl]-2-pyridin-3-ylcyclopropane-1-carboxamide
CID 167979791
[(2R)-1-(4-morpholin-4-ylsulfonylanilino)-1-oxopropan-2-yl] pyridine-3-carboxylate
CID 26002719
N-(4-piperidin-1-ylsulfonylphenyl)-1-pyridin-3-ylsulfonylpiperidine-4-carboxamide
CID 55603379
2-methyl-N-(3-morpholin-4-ylsulfonylphenyl)cyclopropane-1-carboxamide
CID 17070424
N-(4-morpholin-4-ylsulfonylphenyl)-1-phenylpiperidine-4-carboxamide
CID 17152446
N-[5-(benzenesulfonyl)-2-pyridinyl]-2-pyridin-3-ylcyclopropane-1-carboxamide
CID 123896535
1-[(2-methyl-3-pyridinyl)methyl]-3-(4-morpholin-4-ylsulfonylphenyl)urea
CID 71655702

Frequently Asked Questions

What is the IUPAC name of N-(4-morpholin-4-ylsulfonylphenyl)-2-pyridin-3-ylcyclopropane-1-carboxamide?
The IUPAC name of N-(4-morpholin-4-ylsulfonylphenyl)-2-pyridin-3-ylcyclopropane-1-carboxamide (CID 90135037) is N-(4-morpholin-4-ylsulfonylphenyl)-2-pyridin-3-ylcyclopropane-1-carboxamide.
What is the SMILES notation for N-(4-morpholin-4-ylsulfonylphenyl)-2-pyridin-3-ylcyclopropane-1-carboxamide?
The canonical SMILES for N-(4-morpholin-4-ylsulfonylphenyl)-2-pyridin-3-ylcyclopropane-1-carboxamide is O=C(Nc1ccc(S(=O)(=O)N2CCOCC2)cc1)C1CC1c1cccnc1.
What is the InChIKey of N-(4-morpholin-4-ylsulfonylphenyl)-2-pyridin-3-ylcyclopropane-1-carboxamide?
The InChIKey is MYECPKSDXBBINM-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H21N3O4S/c23-19(18-12-17(18)14-2-1-7-20-13-14)21-15-3-5-16(6-4-15)27(24,25)22-8-10-26-11-9-22/h1-7,13,17-18H,8-12H2,(H,21,23).
What are the key properties of N-(4-morpholin-4-ylsulfonylphenyl)-2-pyridin-3-ylcyclopropane-1-carboxamide?
N-(4-morpholin-4-ylsulfonylphenyl)-2-pyridin-3-ylcyclopropane-1-carboxamide has a molecular weight of 387.46 g/mol, XLogP of 1.84, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-morpholin-4-ylsulfonylphenyl)-2-pyridin-3-ylcyclopropane-1-carboxamide is sourced from PubChem (CID 90135037), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).