N-cyclopropyl-N-(3-methylpentan-2-yl)-3-(4-morpholin-4-ylsulfonylphenyl)prop-2-enamide

C22H32N2O4S — CID 72687589

IUPACN-cyclopropyl-N-(3-methylpentan-2-yl)-3-(4-morpholin-4-ylsulfonylphenyl)prop-2-enamide
SMILESCCC(C)C(C)N(C(=O)C=Cc1ccc(S(=O)(=O)N2CCOCC2)cc1)C1CC1
InChIInChI=1S/C22H32N2O4S/c1-4-17(2)18(3)24(20-8-9-20)22(25)12-7-19-5-10-21(11-6-19)29(26,27)23-13-15-28-16-14-23/h5-7,10-12,17-18,20H,4,8-9,13-16H2,1-3H3
InChIKeyDJHKQFKSBYUYQX-UHFFFAOYSA-N
MW420.58 g/mol
LogP3.15
Rot. Bonds8

About N-cyclopropyl-N-(3-methylpentan-2-yl)-3-(4-morpholin-4-ylsulfonylphenyl)prop-2-enamide

N-cyclopropyl-N-(3-methylpentan-2-yl)-3-(4-morpholin-4-ylsulfonylphenyl)prop-2-enamide (PubChem CID 72687589) has the molecular formula C22H32N2O4S and a molecular weight of 420.58 g/mol. Its IUPAC name is N-cyclopropyl-N-(3-methylpentan-2-yl)-3-(4-morpholin-4-ylsulfonylphenyl)prop-2-enamide.

Molecular Properties

Compound NameN-cyclopropyl-N-(3-methylpentan-2-yl)-3-(4-morpholin-4-ylsulfonylphenyl)prop-2-enamide
PubChem CID72687589
Molecular FormulaC22H32N2O4S
Molecular Weight420.58 g/mol
Exact Mass420.21
IUPAC NameN-cyclopropyl-N-(3-methylpentan-2-yl)-3-(4-morpholin-4-ylsulfonylphenyl)prop-2-enamide
SMILESCCC(C)C(C)N(C(=O)C=Cc1ccc(S(=O)(=O)N2CCOCC2)cc1)C1CC1
InChIInChI=1S/C22H32N2O4S/c1-4-17(2)18(3)24(20-8-9-20)22(25)12-7-19-5-10-21(11-6-19)29(26,27)23-13-15-28-16-14-23/h5-7,10-12,17-18,20H,4,8-9,13-16H2,1-3H3
InChIKeyDJHKQFKSBYUYQX-UHFFFAOYSA-N
XLogP3.15
TPSA66.92 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500420.58
LogP ≤ 53.15
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

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Related Compounds

(E)-N-[1-(2-methoxyphenyl)ethyl]-N-methyl-3-(4-morpholin-4-ylsulfonylphenyl)prop-2-enamide
CID 46591934
(E)-3-(4-morpholin-4-ylsulfonylphenyl)-N-[2-[[(E)-3-(4-morpholin-4-ylsulfonylphenyl)prop-2-enoyl]amino]propyl]prop-2-enamide
CID 6008893
[(2S)-1-oxo-1-pyrrolidin-1-ylpropan-2-yl] (E)-3-(4-morpholin-4-ylsulfonylphenyl)prop-2-enoate
CID 8790147
ethyl 2-[2-methoxyethyl-[(E)-3-(4-morpholin-4-ylsulfonylphenyl)prop-2-enoyl]amino]acetate
CID 55725920
N-cyclopentyl-N-[(2,6-difluorophenyl)methyl]-3-(4-morpholin-4-ylsulfonylphenyl)prop-2-enamide
CID 72687398
N-(3-methylbutyl)-3-(4-morpholin-4-ylsulfonylphenyl)prop-2-enamide
CID 78288601
methyl 2-[(E)-3-(4-morpholin-4-ylsulfonylphenyl)prop-2-enoyl]oxypropanoate
CID 16568787
(E)-N,N-bis(2-cyanoethyl)-3-(4-morpholin-4-ylsulfonylphenyl)prop-2-enamide
CID 55531051
propan-2-yl 3-[[(E)-3-(4-morpholin-4-ylsulfonylphenyl)prop-2-enoyl]amino]propanoate
CID 55440480
(E)-N-methyl-N-[2-(4-methylphenoxy)ethyl]-3-(4-morpholin-4-ylsulfonylphenyl)prop-2-enamide
CID 26994510
(E)-3-(4-morpholin-4-ylsulfonylphenyl)-N-[2-oxo-2-(propan-2-ylamino)ethyl]prop-2-enamide
CID 9300050
(E)-N-(2-cyanoethyl)-N-[2-[2-cyanoethyl-[(E)-3-(4-morpholin-4-ylsulfonylphenyl)prop-2-enoyl]amino]ethyl]-3-(4-morpholin-4-ylsulfonylphenyl)prop-2-enamide
CID 6023993

Frequently Asked Questions

What is the IUPAC name of N-cyclopropyl-N-(3-methylpentan-2-yl)-3-(4-morpholin-4-ylsulfonylphenyl)prop-2-enamide?
The IUPAC name of N-cyclopropyl-N-(3-methylpentan-2-yl)-3-(4-morpholin-4-ylsulfonylphenyl)prop-2-enamide (CID 72687589) is N-cyclopropyl-N-(3-methylpentan-2-yl)-3-(4-morpholin-4-ylsulfonylphenyl)prop-2-enamide.
What is the SMILES notation for N-cyclopropyl-N-(3-methylpentan-2-yl)-3-(4-morpholin-4-ylsulfonylphenyl)prop-2-enamide?
The canonical SMILES for N-cyclopropyl-N-(3-methylpentan-2-yl)-3-(4-morpholin-4-ylsulfonylphenyl)prop-2-enamide is CCC(C)C(C)N(C(=O)C=Cc1ccc(S(=O)(=O)N2CCOCC2)cc1)C1CC1.
What is the InChIKey of N-cyclopropyl-N-(3-methylpentan-2-yl)-3-(4-morpholin-4-ylsulfonylphenyl)prop-2-enamide?
The InChIKey is DJHKQFKSBYUYQX-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H32N2O4S/c1-4-17(2)18(3)24(20-8-9-20)22(25)12-7-19-5-10-21(11-6-19)29(26,27)23-13-15-28-16-14-23/h5-7,10-12,17-18,20H,4,8-9,13-16H2,1-3H3.
What are the key properties of N-cyclopropyl-N-(3-methylpentan-2-yl)-3-(4-morpholin-4-ylsulfonylphenyl)prop-2-enamide?
N-cyclopropyl-N-(3-methylpentan-2-yl)-3-(4-morpholin-4-ylsulfonylphenyl)prop-2-enamide has a molecular weight of 420.58 g/mol, XLogP of 3.15, 8 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclopropyl-N-(3-methylpentan-2-yl)-3-(4-morpholin-4-ylsulfonylphenyl)prop-2-enamide is sourced from PubChem (CID 72687589), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).