N-[(5-morpholin-4-ylsulfonylthiophen-2-yl)methyl]-3-(prop-2-ynylsulfamoyl)benzamide

C19H21N3O6S3 — CID 41322063

IUPACN-[(5-morpholin-4-ylsulfonylthiophen-2-yl)methyl]-3-(prop-2-ynylsulfamoyl)benzamide
SMILESC#CCNS(=O)(=O)c1cccc(C(=O)NCc2ccc(S(=O)(=O)N3CCOCC3)s2)c1
InChIInChI=1S/C19H21N3O6S3/c1-2-8-21-30(24,25)17-5-3-4-15(13-17)19(23)20-14-16-6-7-18(29-16)31(26,27)22-9-11-28-12-10-22/h1,3-7,13,21H,8-12,14H2,(H,20,23)
InChIKeyFGYLZPXIDYCOMU-UHFFFAOYSA-N
MW483.59 g/mol
LogP0.61
Rot. Bonds8

About N-[(5-morpholin-4-ylsulfonylthiophen-2-yl)methyl]-3-(prop-2-ynylsulfamoyl)benzamide

N-[(5-morpholin-4-ylsulfonylthiophen-2-yl)methyl]-3-(prop-2-ynylsulfamoyl)benzamide (PubChem CID 41322063) has the molecular formula C19H21N3O6S3 and a molecular weight of 483.59 g/mol. Its IUPAC name is N-[(5-morpholin-4-ylsulfonylthiophen-2-yl)methyl]-3-(prop-2-ynylsulfamoyl)benzamide.

Molecular Properties

Compound NameN-[(5-morpholin-4-ylsulfonylthiophen-2-yl)methyl]-3-(prop-2-ynylsulfamoyl)benzamide
PubChem CID41322063
Molecular FormulaC19H21N3O6S3
Molecular Weight483.59 g/mol
Exact Mass483.06
IUPAC NameN-[(5-morpholin-4-ylsulfonylthiophen-2-yl)methyl]-3-(prop-2-ynylsulfamoyl)benzamide
SMILESC#CCNS(=O)(=O)c1cccc(C(=O)NCc2ccc(S(=O)(=O)N3CCOCC3)s2)c1
InChIInChI=1S/C19H21N3O6S3/c1-2-8-21-30(24,25)17-5-3-4-15(13-17)19(23)20-14-16-6-7-18(29-16)31(26,27)22-9-11-28-12-10-22/h1,3-7,13,21H,8-12,14H2,(H,20,23)
InChIKeyFGYLZPXIDYCOMU-UHFFFAOYSA-N
XLogP0.61
TPSA121.88 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds8
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500483.59
LogP ≤ 50.61
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

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

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Related Compounds

N-[(5-bromothiophen-2-yl)methyl]-3-morpholin-4-ylsulfonylbenzamide
CID 32775606
3,4-difluoro-N-[(5-morpholin-4-ylsulfonylthiophen-2-yl)methyl]benzamide
CID 41311320
N-[(5-pyrrolidin-1-ylsulfonylthiophen-2-yl)methyl]benzamide
CID 17440789
N-[(5-morpholin-4-ylsulfonylthiophen-2-yl)methyl]acetamide
CID 39792074
methyl 4-[(5-morpholin-4-ylsulfonylthiophen-2-yl)methylsulfamoyl]benzoate
CID 16621838
N-[(4-methylphenyl)methyl]-3-(5-morpholin-4-ylsulfonylthiophen-2-yl)benzamide
CID 53101598
1-methylsulfonyl-N-[(5-morpholin-4-ylsulfonylthiophen-2-yl)methyl]-3,4-dihydro-2H-quinoline-6-carboxamide
CID 41311402
N-[(2-fluorophenyl)methyl]-3-(prop-2-ynylsulfamoyl)benzamide
CID 27009215
3-morpholin-4-ylsulfonyl-N-[(4-pyrrolidin-1-ylphenyl)methyl]benzamide
CID 50944620
4-bromo-3-methyl-N-[(5-morpholin-4-ylsulfonylthiophen-2-yl)methyl]benzenesulfonamide
CID 16582822
N-[(5-morpholin-4-ylsulfonylthiophen-2-yl)methyl]-4-prop-2-enoxybenzamide
CID 32742505
N-[(1-phenylpyrrolidin-3-yl)methyl]-3-(prop-2-ynylsulfamoyl)benzamide
CID 55652238

Frequently Asked Questions

What is the IUPAC name of N-[(5-morpholin-4-ylsulfonylthiophen-2-yl)methyl]-3-(prop-2-ynylsulfamoyl)benzamide?
The IUPAC name of N-[(5-morpholin-4-ylsulfonylthiophen-2-yl)methyl]-3-(prop-2-ynylsulfamoyl)benzamide (CID 41322063) is N-[(5-morpholin-4-ylsulfonylthiophen-2-yl)methyl]-3-(prop-2-ynylsulfamoyl)benzamide.
What is the SMILES notation for N-[(5-morpholin-4-ylsulfonylthiophen-2-yl)methyl]-3-(prop-2-ynylsulfamoyl)benzamide?
The canonical SMILES for N-[(5-morpholin-4-ylsulfonylthiophen-2-yl)methyl]-3-(prop-2-ynylsulfamoyl)benzamide is C#CCNS(=O)(=O)c1cccc(C(=O)NCc2ccc(S(=O)(=O)N3CCOCC3)s2)c1.
What is the InChIKey of N-[(5-morpholin-4-ylsulfonylthiophen-2-yl)methyl]-3-(prop-2-ynylsulfamoyl)benzamide?
The InChIKey is FGYLZPXIDYCOMU-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H21N3O6S3/c1-2-8-21-30(24,25)17-5-3-4-15(13-17)19(23)20-14-16-6-7-18(29-16)31(26,27)22-9-11-28-12-10-22/h1,3-7,13,21H,8-12,14H2,(H,20,23).
What are the key properties of N-[(5-morpholin-4-ylsulfonylthiophen-2-yl)methyl]-3-(prop-2-ynylsulfamoyl)benzamide?
N-[(5-morpholin-4-ylsulfonylthiophen-2-yl)methyl]-3-(prop-2-ynylsulfamoyl)benzamide has a molecular weight of 483.59 g/mol, XLogP of 0.61, 8 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(5-morpholin-4-ylsulfonylthiophen-2-yl)methyl]-3-(prop-2-ynylsulfamoyl)benzamide is sourced from PubChem (CID 41322063), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).