N-(3-cyano-5-ethylthiophen-2-yl)-4-methoxy-3-morpholin-4-ylsulfonylbenzamide

C19H21N3O5S2 — CID 55906470

IUPACN-(3-cyano-5-ethylthiophen-2-yl)-4-methoxy-3-morpholin-4-ylsulfonylbenzamide
SMILESCCc1cc(C#N)c(NC(=O)c2ccc(OC)c(S(=O)(=O)N3CCOCC3)c2)s1
InChIInChI=1S/C19H21N3O5S2/c1-3-15-10-14(12-20)19(28-15)21-18(23)13-4-5-16(26-2)17(11-13)29(24,25)22-6-8-27-9-7-22/h4-5,10-11H,3,6-9H2,1-2H3,(H,21,23)
InChIKeyKJQSIFPYKAFNMN-UHFFFAOYSA-N
MW435.53 g/mol
LogP2.46
Rot. Bonds6

About N-(3-cyano-5-ethylthiophen-2-yl)-4-methoxy-3-morpholin-4-ylsulfonylbenzamide

N-(3-cyano-5-ethylthiophen-2-yl)-4-methoxy-3-morpholin-4-ylsulfonylbenzamide (PubChem CID 55906470) has the molecular formula C19H21N3O5S2 and a molecular weight of 435.53 g/mol. Its IUPAC name is N-(3-cyano-5-ethylthiophen-2-yl)-4-methoxy-3-morpholin-4-ylsulfonylbenzamide.

Molecular Properties

Compound NameN-(3-cyano-5-ethylthiophen-2-yl)-4-methoxy-3-morpholin-4-ylsulfonylbenzamide
PubChem CID55906470
Molecular FormulaC19H21N3O5S2
Molecular Weight435.53 g/mol
Exact Mass435.09
IUPAC NameN-(3-cyano-5-ethylthiophen-2-yl)-4-methoxy-3-morpholin-4-ylsulfonylbenzamide
SMILESCCc1cc(C#N)c(NC(=O)c2ccc(OC)c(S(=O)(=O)N3CCOCC3)c2)s1
InChIInChI=1S/C19H21N3O5S2/c1-3-15-10-14(12-20)19(28-15)21-18(23)13-4-5-16(26-2)17(11-13)29(24,25)22-6-8-27-9-7-22/h4-5,10-11H,3,6-9H2,1-2H3,(H,21,23)
InChIKeyKJQSIFPYKAFNMN-UHFFFAOYSA-N
XLogP2.46
TPSA108.73 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500435.53
LogP ≤ 52.46
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Related Compounds

N-(3-cyano-5-ethylthiophen-2-yl)-3-(diethylsulfamoyl)-4-methoxybenzamide
CID 55905942
N-(4-chloro-3-cyanophenyl)-4-methoxy-3-morpholin-4-ylsulfonylbenzamide
CID 55480876
4-methoxy-N-(4-methylphenyl)-3-morpholin-4-ylsulfonylbenzamide
CID 2664930
methyl 5-[(4-methoxy-3-morpholin-4-ylsulfonylbenzoyl)amino]thiophene-2-carboxylate
CID 24509379
N-(3-chloro-4-methoxyphenyl)-4-methoxy-3-morpholin-4-ylsulfonylbenzamide
CID 18892295
N-(4-carbamoylphenyl)-4-methoxy-3-morpholin-4-ylsulfonylbenzamide
CID 7926425
4-methoxy-N-(2-methoxyethyl)-3-morpholin-4-ylsulfonylbenzamide
CID 18892275
N'-[(2S)-2-(4-cyanophenoxy)propanoyl]-4-methoxy-3-morpholin-4-ylsulfonylbenzohydrazide
CID 25387230
propyl 4-[(4-methoxy-3-morpholin-4-ylsulfonylbenzoyl)amino]benzoate
CID 4849600
4-methoxy-3-morpholin-4-ylsulfonyl-N-(1,3-thiazol-2-yl)benzamide
CID 1107091
4-methoxy-N-[4-(4-methylphenoxy)phenyl]-3-morpholin-4-ylsulfonylbenzamide
CID 2676641
4-[(4-methoxy-3-morpholin-4-ylsulfonylbenzoyl)amino]-N,3-dimethylbenzamide
CID 46465140

Frequently Asked Questions

What is the IUPAC name of N-(3-cyano-5-ethylthiophen-2-yl)-4-methoxy-3-morpholin-4-ylsulfonylbenzamide?
The IUPAC name of N-(3-cyano-5-ethylthiophen-2-yl)-4-methoxy-3-morpholin-4-ylsulfonylbenzamide (CID 55906470) is N-(3-cyano-5-ethylthiophen-2-yl)-4-methoxy-3-morpholin-4-ylsulfonylbenzamide.
What is the SMILES notation for N-(3-cyano-5-ethylthiophen-2-yl)-4-methoxy-3-morpholin-4-ylsulfonylbenzamide?
The canonical SMILES for N-(3-cyano-5-ethylthiophen-2-yl)-4-methoxy-3-morpholin-4-ylsulfonylbenzamide is CCc1cc(C#N)c(NC(=O)c2ccc(OC)c(S(=O)(=O)N3CCOCC3)c2)s1.
What is the InChIKey of N-(3-cyano-5-ethylthiophen-2-yl)-4-methoxy-3-morpholin-4-ylsulfonylbenzamide?
The InChIKey is KJQSIFPYKAFNMN-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H21N3O5S2/c1-3-15-10-14(12-20)19(28-15)21-18(23)13-4-5-16(26-2)17(11-13)29(24,25)22-6-8-27-9-7-22/h4-5,10-11H,3,6-9H2,1-2H3,(H,21,23).
What are the key properties of N-(3-cyano-5-ethylthiophen-2-yl)-4-methoxy-3-morpholin-4-ylsulfonylbenzamide?
N-(3-cyano-5-ethylthiophen-2-yl)-4-methoxy-3-morpholin-4-ylsulfonylbenzamide has a molecular weight of 435.53 g/mol, XLogP of 2.46, 6 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-cyano-5-ethylthiophen-2-yl)-4-methoxy-3-morpholin-4-ylsulfonylbenzamide is sourced from PubChem (CID 55906470), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).