N-[(5-chlorothiophen-2-yl)methyl]-4-methoxy-N-methyl-3-morpholin-4-ylsulfonylbenzamide

C18H21ClN2O5S2 — CID 17433061

IUPACN-[(5-chlorothiophen-2-yl)methyl]-4-methoxy-N-methyl-3-morpholin-4-ylsulfonylbenzamide
SMILESCOc1ccc(C(=O)N(C)Cc2ccc(Cl)s2)cc1S(=O)(=O)N1CCOCC1
InChIInChI=1S/C18H21ClN2O5S2/c1-20(12-14-4-6-17(19)27-14)18(22)13-3-5-15(25-2)16(11-13)28(23,24)21-7-9-26-10-8-21/h3-6,11H,7-10,12H2,1-2H3
InChIKeyMLLQTUJWPQYWNV-UHFFFAOYSA-N
MW444.96 g/mol
LogP2.70
Rot. Bonds6

About N-[(5-chlorothiophen-2-yl)methyl]-4-methoxy-N-methyl-3-morpholin-4-ylsulfonylbenzamide

N-[(5-chlorothiophen-2-yl)methyl]-4-methoxy-N-methyl-3-morpholin-4-ylsulfonylbenzamide (PubChem CID 17433061) has the molecular formula C18H21ClN2O5S2 and a molecular weight of 444.96 g/mol. Its IUPAC name is N-[(5-chlorothiophen-2-yl)methyl]-4-methoxy-N-methyl-3-morpholin-4-ylsulfonylbenzamide.

Molecular Properties

Compound NameN-[(5-chlorothiophen-2-yl)methyl]-4-methoxy-N-methyl-3-morpholin-4-ylsulfonylbenzamide
PubChem CID17433061
Molecular FormulaC18H21ClN2O5S2
Molecular Weight444.96 g/mol
Exact Mass444.06
IUPAC NameN-[(5-chlorothiophen-2-yl)methyl]-4-methoxy-N-methyl-3-morpholin-4-ylsulfonylbenzamide
SMILESCOc1ccc(C(=O)N(C)Cc2ccc(Cl)s2)cc1S(=O)(=O)N1CCOCC1
InChIInChI=1S/C18H21ClN2O5S2/c1-20(12-14-4-6-17(19)27-14)18(22)13-3-5-15(25-2)16(11-13)28(23,24)21-7-9-26-10-8-21/h3-6,11H,7-10,12H2,1-2H3
InChIKeyMLLQTUJWPQYWNV-UHFFFAOYSA-N
XLogP2.70
TPSA76.15 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500444.96
LogP ≤ 52.70
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

N-[(5-chlorothiophen-2-yl)methyl]-4-methoxy-N-methyl-3-[(4-methylphenyl)sulfamoyl]benzamide
CID 39735566
2-[ethyl-(4-methoxy-3-morpholin-4-ylsulfonylbenzoyl)amino]acetic acid
CID 119206282
4-chloro-N-[(5-chlorothiophen-2-yl)methyl]-N-methyl-3-sulfamoylbenzamide
CID 9107639
N-benzyl-4-methoxy-N-methyl-3-pyrrolidin-1-ylsulfonylbenzamide
CID 40742269
4-methoxy-N-[1-(2-methoxyphenyl)ethyl]-N-methyl-3-morpholin-4-ylsulfonylbenzamide
CID 43060653
N-[2-(4-chlorophenyl)ethyl]-4-methoxy-3-morpholin-4-ylsulfonylbenzamide
CID 2161742
N-(3,5-dimethylphenyl)-N-ethyl-4-methoxy-3-morpholin-4-ylsulfonylbenzamide
CID 55592249
4-methoxy-N-(2-methoxyethyl)-3-morpholin-4-ylsulfonylbenzamide
CID 18892275
N-benzyl-4-methoxy-N-(4-methylphenyl)-3-morpholin-4-ylsulfonylbenzamide
CID 24979784
N-[[4-(difluoromethoxy)-3-methoxyphenyl]methyl]-4-ethyl-N-methyl-3-morpholin-4-ylsulfonylbenzamide
CID 55578790
4-(5-chloro-2-methoxyphenyl)sulfonylmorpholine
CID 5201304
propyl 4-methoxy-3-morpholin-4-ylsulfonylbenzoate
CID 27000014

Frequently Asked Questions

What is the IUPAC name of N-[(5-chlorothiophen-2-yl)methyl]-4-methoxy-N-methyl-3-morpholin-4-ylsulfonylbenzamide?
The IUPAC name of N-[(5-chlorothiophen-2-yl)methyl]-4-methoxy-N-methyl-3-morpholin-4-ylsulfonylbenzamide (CID 17433061) is N-[(5-chlorothiophen-2-yl)methyl]-4-methoxy-N-methyl-3-morpholin-4-ylsulfonylbenzamide.
What is the SMILES notation for N-[(5-chlorothiophen-2-yl)methyl]-4-methoxy-N-methyl-3-morpholin-4-ylsulfonylbenzamide?
The canonical SMILES for N-[(5-chlorothiophen-2-yl)methyl]-4-methoxy-N-methyl-3-morpholin-4-ylsulfonylbenzamide is COc1ccc(C(=O)N(C)Cc2ccc(Cl)s2)cc1S(=O)(=O)N1CCOCC1.
What is the InChIKey of N-[(5-chlorothiophen-2-yl)methyl]-4-methoxy-N-methyl-3-morpholin-4-ylsulfonylbenzamide?
The InChIKey is MLLQTUJWPQYWNV-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H21ClN2O5S2/c1-20(12-14-4-6-17(19)27-14)18(22)13-3-5-15(25-2)16(11-13)28(23,24)21-7-9-26-10-8-21/h3-6,11H,7-10,12H2,1-2H3.
What are the key properties of N-[(5-chlorothiophen-2-yl)methyl]-4-methoxy-N-methyl-3-morpholin-4-ylsulfonylbenzamide?
N-[(5-chlorothiophen-2-yl)methyl]-4-methoxy-N-methyl-3-morpholin-4-ylsulfonylbenzamide has a molecular weight of 444.96 g/mol, XLogP of 2.70, 6 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(5-chlorothiophen-2-yl)methyl]-4-methoxy-N-methyl-3-morpholin-4-ylsulfonylbenzamide is sourced from PubChem (CID 17433061), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).