N-[(Z)-[(E)-3-(2-methoxyphenyl)prop-2-enylidene]amino]-3-morpholin-4-ylsulfonylbenzamide

C21H23N3O5S — CID 41320212

IUPACN-[(Z)-[(E)-3-(2-methoxyphenyl)prop-2-enylidene]amino]-3-morpholin-4-ylsulfonylbenzamide
SMILESCOc1ccccc1/C=C/C=N\NC(=O)c1cccc(S(=O)(=O)N2CCOCC2)c1
InChIInChI=1S/C21H23N3O5S/c1-28-20-10-3-2-6-17(20)8-5-11-22-23-21(25)18-7-4-9-19(16-18)30(26,27)24-12-14-29-15-13-24/h2-11,16H,12-15H2,1H3,(H,23,25)/b8-5+,22-11-
InChIKeyMQTGHJLZFKRWAM-GKFTURFGSA-N
MW429.50 g/mol
LogP2.15
Rot. Bonds7

About N-[(Z)-[(E)-3-(2-methoxyphenyl)prop-2-enylidene]amino]-3-morpholin-4-ylsulfonylbenzamide

N-[(Z)-[(E)-3-(2-methoxyphenyl)prop-2-enylidene]amino]-3-morpholin-4-ylsulfonylbenzamide (PubChem CID 41320212) has the molecular formula C21H23N3O5S and a molecular weight of 429.50 g/mol. Its IUPAC name is N-[(Z)-[(E)-3-(2-methoxyphenyl)prop-2-enylidene]amino]-3-morpholin-4-ylsulfonylbenzamide.

Molecular Properties

Compound NameN-[(Z)-[(E)-3-(2-methoxyphenyl)prop-2-enylidene]amino]-3-morpholin-4-ylsulfonylbenzamide
PubChem CID41320212
Molecular FormulaC21H23N3O5S
Molecular Weight429.50 g/mol
Exact Mass429.14
IUPAC NameN-[(Z)-[(E)-3-(2-methoxyphenyl)prop-2-enylidene]amino]-3-morpholin-4-ylsulfonylbenzamide
SMILESCOc1ccccc1/C=C/C=N\NC(=O)c1cccc(S(=O)(=O)N2CCOCC2)c1
InChIInChI=1S/C21H23N3O5S/c1-28-20-10-3-2-6-17(20)8-5-11-22-23-21(25)18-7-4-9-19(16-18)30(26,27)24-12-14-29-15-13-24/h2-11,16H,12-15H2,1H3,(H,23,25)/b8-5+,22-11-
InChIKeyMQTGHJLZFKRWAM-GKFTURFGSA-N
XLogP2.15
TPSA97.30 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500429.50
LogP ≤ 52.15
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

N-[(Z)-[(E)-3-(2-methoxyphenyl)prop-2-enylidene]amino]-4-pyrrolidin-1-ylsulfonylbenzamide
CID 9466068
N-[[4-(difluoromethoxy)phenyl]methylideneamino]-3-morpholin-4-ylsulfonylbenzamide
CID 2325280
3-morpholin-4-ylsulfonyl-N-(1-phenylpropylideneamino)benzamide
CID 4611586
N-[(2,4-difluorophenyl)methylideneamino]-3-morpholin-4-ylsulfonylbenzamide
CID 2588987
N-[(3,4-dimethoxyphenyl)methylideneamino]-3-pyrrolidin-1-ylsulfonylbenzamide
CID 2589241
N-(1H-indol-3-ylmethylideneamino)-3-morpholin-4-ylsulfonylbenzamide
CID 2641960
N-[(Z)-[(3S)-3,7-dimethyloct-6-enylidene]amino]-3-morpholin-4-ylsulfonylbenzamide
CID 9061052
N-[(Z)-[(3R)-3,7-dimethyloct-6-enylidene]amino]-3-morpholin-4-ylsulfonylbenzamide
CID 9061053
N-(cyclopentylideneamino)-3-morpholin-4-ylsulfonylbenzamide
CID 9061071
N-[(2,4-dimethoxyphenyl)methylideneamino]-3-pyrrolidin-1-ylsulfonylbenzamide
CID 2589258
N-[(4-hydroxy-3-methoxyphenyl)methylideneamino]-3-piperidin-1-ylsulfonylbenzamide
CID 2589477
N-[(Z)-(3-fluoro-4-methoxyphenyl)methylideneamino]-3-pyrrolidin-1-ylsulfonylbenzamide
CID 8972352

Frequently Asked Questions

What is the IUPAC name of N-[(Z)-[(E)-3-(2-methoxyphenyl)prop-2-enylidene]amino]-3-morpholin-4-ylsulfonylbenzamide?
The IUPAC name of N-[(Z)-[(E)-3-(2-methoxyphenyl)prop-2-enylidene]amino]-3-morpholin-4-ylsulfonylbenzamide (CID 41320212) is N-[(Z)-[(E)-3-(2-methoxyphenyl)prop-2-enylidene]amino]-3-morpholin-4-ylsulfonylbenzamide.
What is the SMILES notation for N-[(Z)-[(E)-3-(2-methoxyphenyl)prop-2-enylidene]amino]-3-morpholin-4-ylsulfonylbenzamide?
The canonical SMILES for N-[(Z)-[(E)-3-(2-methoxyphenyl)prop-2-enylidene]amino]-3-morpholin-4-ylsulfonylbenzamide is COc1ccccc1/C=C/C=N\NC(=O)c1cccc(S(=O)(=O)N2CCOCC2)c1.
What is the InChIKey of N-[(Z)-[(E)-3-(2-methoxyphenyl)prop-2-enylidene]amino]-3-morpholin-4-ylsulfonylbenzamide?
The InChIKey is MQTGHJLZFKRWAM-GKFTURFGSA-N. The full InChI is InChI=1S/C21H23N3O5S/c1-28-20-10-3-2-6-17(20)8-5-11-22-23-21(25)18-7-4-9-19(16-18)30(26,27)24-12-14-29-15-13-24/h2-11,16H,12-15H2,1H3,(H,23,25)/b8-5+,22-11-.
What are the key properties of N-[(Z)-[(E)-3-(2-methoxyphenyl)prop-2-enylidene]amino]-3-morpholin-4-ylsulfonylbenzamide?
N-[(Z)-[(E)-3-(2-methoxyphenyl)prop-2-enylidene]amino]-3-morpholin-4-ylsulfonylbenzamide has a molecular weight of 429.50 g/mol, XLogP of 2.15, 7 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(Z)-[(E)-3-(2-methoxyphenyl)prop-2-enylidene]amino]-3-morpholin-4-ylsulfonylbenzamide is sourced from PubChem (CID 41320212), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).