(E)-3-(5-chlorothiophen-2-yl)-N-[[2-(morpholin-4-ylsulfonylmethyl)phenyl]methyl]prop-2-enamide

C19H21ClN2O4S2 — CID 17488534

IUPAC(E)-3-(5-chlorothiophen-2-yl)-N-[[2-(morpholin-4-ylsulfonylmethyl)phenyl]methyl]prop-2-enamide
SMILESO=C(/C=C/c1ccc(Cl)s1)NCc1ccccc1CS(=O)(=O)N1CCOCC1
InChIInChI=1S/C19H21ClN2O4S2/c20-18-7-5-17(27-18)6-8-19(23)21-13-15-3-1-2-4-16(15)14-28(24,25)22-9-11-26-12-10-22/h1-8H,9-14H2,(H,21,23)/b8-6+
InChIKeyQRDCSIGMCVZFGH-SOFGYWHQSA-N
MW440.97 g/mol
LogP2.89
Rot. Bonds7

About (E)-3-(5-chlorothiophen-2-yl)-N-[[2-(morpholin-4-ylsulfonylmethyl)phenyl]methyl]prop-2-enamide

(E)-3-(5-chlorothiophen-2-yl)-N-[[2-(morpholin-4-ylsulfonylmethyl)phenyl]methyl]prop-2-enamide (PubChem CID 17488534) has the molecular formula C19H21ClN2O4S2 and a molecular weight of 440.97 g/mol. Its IUPAC name is (E)-3-(5-chlorothiophen-2-yl)-N-[[2-(morpholin-4-ylsulfonylmethyl)phenyl]methyl]prop-2-enamide.

Molecular Properties

Compound Name(E)-3-(5-chlorothiophen-2-yl)-N-[[2-(morpholin-4-ylsulfonylmethyl)phenyl]methyl]prop-2-enamide
PubChem CID17488534
Molecular FormulaC19H21ClN2O4S2
Molecular Weight440.97 g/mol
Exact Mass440.06
IUPAC Name(E)-3-(5-chlorothiophen-2-yl)-N-[[2-(morpholin-4-ylsulfonylmethyl)phenyl]methyl]prop-2-enamide
SMILESO=C(/C=C/c1ccc(Cl)s1)NCc1ccccc1CS(=O)(=O)N1CCOCC1
InChIInChI=1S/C19H21ClN2O4S2/c20-18-7-5-17(27-18)6-8-19(23)21-13-15-3-1-2-4-16(15)14-28(24,25)22-9-11-26-12-10-22/h1-8H,9-14H2,(H,21,23)/b8-6+
InChIKeyQRDCSIGMCVZFGH-SOFGYWHQSA-N
XLogP2.89
TPSA75.71 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500440.97
LogP ≤ 52.89
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

(E)-3-(5-chlorothiophen-2-yl)-N-[(2-fluorophenyl)methyl]prop-2-enamide
CID 24608482
2,6-dichloro-N-[[2-(morpholin-4-ylsulfonylmethyl)phenyl]methyl]benzamide
CID 112803399
1-amino-N-[[2-(morpholin-4-ylsulfonylmethyl)phenyl]methyl]cyclopropane-1-carboxamide;hydrochloride
CID 119697559
(2R)-2-amino-N-[[2-(morpholin-4-ylsulfonylmethyl)phenyl]methyl]propanamide
CID 119275554
2-(methylamino)-N-[[2-(morpholin-4-ylsulfonylmethyl)phenyl]methyl]acetamide;hydrochloride
CID 119697573
5-chloro-2-hydroxy-N-[[2-(morpholin-4-ylsulfonylmethyl)phenyl]methyl]benzamide
CID 18120484
2-methyl-N-[[2-(morpholin-4-ylsulfonylmethyl)phenyl]methyl]benzamide
CID 24541772
1-amino-N-[[2-(morpholin-4-ylsulfonylmethyl)phenyl]methyl]cyclopentane-1-carboxamide
CID 119275552
2-methyl-3-(methylamino)-N-[[2-(morpholin-4-ylsulfonylmethyl)phenyl]methyl]propanamide
CID 119697580
3-methyl-N-[[2-(morpholin-4-ylsulfonylmethyl)phenyl]methyl]benzamide
CID 17409313
N-[[2-(morpholin-4-ylsulfonylmethyl)phenyl]methyl]piperidine-4-carboxamide
CID 119275548
3,5-dimethyl-N-[[2-(morpholin-4-ylsulfonylmethyl)phenyl]methyl]-1,2-oxazole-4-carboxamide
CID 25404526

Frequently Asked Questions

What is the IUPAC name of (E)-3-(5-chlorothiophen-2-yl)-N-[[2-(morpholin-4-ylsulfonylmethyl)phenyl]methyl]prop-2-enamide?
The IUPAC name of (E)-3-(5-chlorothiophen-2-yl)-N-[[2-(morpholin-4-ylsulfonylmethyl)phenyl]methyl]prop-2-enamide (CID 17488534) is (E)-3-(5-chlorothiophen-2-yl)-N-[[2-(morpholin-4-ylsulfonylmethyl)phenyl]methyl]prop-2-enamide.
What is the SMILES notation for (E)-3-(5-chlorothiophen-2-yl)-N-[[2-(morpholin-4-ylsulfonylmethyl)phenyl]methyl]prop-2-enamide?
The canonical SMILES for (E)-3-(5-chlorothiophen-2-yl)-N-[[2-(morpholin-4-ylsulfonylmethyl)phenyl]methyl]prop-2-enamide is O=C(/C=C/c1ccc(Cl)s1)NCc1ccccc1CS(=O)(=O)N1CCOCC1.
What is the InChIKey of (E)-3-(5-chlorothiophen-2-yl)-N-[[2-(morpholin-4-ylsulfonylmethyl)phenyl]methyl]prop-2-enamide?
The InChIKey is QRDCSIGMCVZFGH-SOFGYWHQSA-N. The full InChI is InChI=1S/C19H21ClN2O4S2/c20-18-7-5-17(27-18)6-8-19(23)21-13-15-3-1-2-4-16(15)14-28(24,25)22-9-11-26-12-10-22/h1-8H,9-14H2,(H,21,23)/b8-6+.
What are the key properties of (E)-3-(5-chlorothiophen-2-yl)-N-[[2-(morpholin-4-ylsulfonylmethyl)phenyl]methyl]prop-2-enamide?
(E)-3-(5-chlorothiophen-2-yl)-N-[[2-(morpholin-4-ylsulfonylmethyl)phenyl]methyl]prop-2-enamide has a molecular weight of 440.97 g/mol, XLogP of 2.89, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-3-(5-chlorothiophen-2-yl)-N-[[2-(morpholin-4-ylsulfonylmethyl)phenyl]methyl]prop-2-enamide is sourced from PubChem (CID 17488534), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).