N-[2-(benzenesulfonyl)ethyl]-3-methoxy-4-(pyrazin-2-ylcarbamoylamino)benzamide

C21H21N5O5S — CID 22046512

IUPACN-[2-(benzenesulfonyl)ethyl]-3-methoxy-4-(pyrazin-2-ylcarbamoylamino)benzamide
SMILESCOc1cc(C(=O)NCCS(=O)(=O)c2ccccc2)ccc1NC(=O)Nc1cnccn1
InChIInChI=1S/C21H21N5O5S/c1-31-18-13-15(7-8-17(18)25-21(28)26-19-14-22-9-10-23-19)20(27)24-11-12-32(29,30)16-5-3-2-4-6-16/h2-10,13-14H,11-12H2,1H3,(H,24,27)(H2,23,25,26,28)
InChIKeyHODLXMRIAPRKJG-UHFFFAOYSA-N
MW455.50 g/mol
LogP2.33
Rot. Bonds8

About N-[2-(benzenesulfonyl)ethyl]-3-methoxy-4-(pyrazin-2-ylcarbamoylamino)benzamide

N-[2-(benzenesulfonyl)ethyl]-3-methoxy-4-(pyrazin-2-ylcarbamoylamino)benzamide (PubChem CID 22046512) has the molecular formula C21H21N5O5S and a molecular weight of 455.50 g/mol. Its IUPAC name is N-[2-(benzenesulfonyl)ethyl]-3-methoxy-4-(pyrazin-2-ylcarbamoylamino)benzamide.

Molecular Properties

Compound NameN-[2-(benzenesulfonyl)ethyl]-3-methoxy-4-(pyrazin-2-ylcarbamoylamino)benzamide
PubChem CID22046512
Molecular FormulaC21H21N5O5S
Molecular Weight455.50 g/mol
Exact Mass455.13
IUPAC NameN-[2-(benzenesulfonyl)ethyl]-3-methoxy-4-(pyrazin-2-ylcarbamoylamino)benzamide
SMILESCOc1cc(C(=O)NCCS(=O)(=O)c2ccccc2)ccc1NC(=O)Nc1cnccn1
InChIInChI=1S/C21H21N5O5S/c1-31-18-13-15(7-8-17(18)25-21(28)26-19-14-22-9-10-23-19)20(27)24-11-12-32(29,30)16-5-3-2-4-6-16/h2-10,13-14H,11-12H2,1H3,(H,24,27)(H2,23,25,26,28)
InChIKeyHODLXMRIAPRKJG-UHFFFAOYSA-N
XLogP2.33
TPSA139.38 Ų
H-Bond Donors3
H-Bond Acceptors7
Rotatable Bonds8
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500455.50
LogP ≤ 52.33
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 107

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Related Compounds

3-methoxy-N-(3-morpholin-4-ylpropyl)-4-(pyrazin-2-ylcarbamoylamino)benzamide
CID 22046301
4-methyl-N-(3-phenylpropyl)-3-(pyrazin-2-ylcarbamoylamino)benzamide;molecular hydrogen
CID 142167548
1-[2-(benzenesulfonyl)ethyl]-3-(2-methoxy-3-pyridinyl)urea
CID 51085372
N-[3-(dimethylamino)propyl]-4-(methoxymethyl)-3-(pyrazin-2-ylcarbamoylamino)benzamide
CID 91485425
1-(2-methoxy-5-methylphenyl)-3-pyrazin-2-ylurea
CID 6466621
N-[2-(benzenesulfonyl)ethyl]-2,3-dimethoxybenzamide
CID 47038001
N-[2-(benzenesulfonyl)ethyl]-5-chloro-2-methoxybenzamide
CID 47038015
N-[2-(benzenesulfonyl)ethyl]-3-(benzenesulfonylmethyl)benzamide
CID 55844593
N-[2-(benzenesulfonyl)ethyl]-4-butoxybenzamide
CID 55735839
1-(2-propan-2-yloxyphenyl)-3-pyrazin-2-ylurea
CID 110492341
3,4-dimethoxy-N-[2-(pyridin-2-ylmethylsulfamoyl)ethyl]benzamide
CID 7618911
N-[4-(4-benzamidobutanoylamino)-2-methoxyphenyl]pyridine-3-carboxamide
CID 33492420

Frequently Asked Questions

What is the IUPAC name of N-[2-(benzenesulfonyl)ethyl]-3-methoxy-4-(pyrazin-2-ylcarbamoylamino)benzamide?
The IUPAC name of N-[2-(benzenesulfonyl)ethyl]-3-methoxy-4-(pyrazin-2-ylcarbamoylamino)benzamide (CID 22046512) is N-[2-(benzenesulfonyl)ethyl]-3-methoxy-4-(pyrazin-2-ylcarbamoylamino)benzamide.
What is the SMILES notation for N-[2-(benzenesulfonyl)ethyl]-3-methoxy-4-(pyrazin-2-ylcarbamoylamino)benzamide?
The canonical SMILES for N-[2-(benzenesulfonyl)ethyl]-3-methoxy-4-(pyrazin-2-ylcarbamoylamino)benzamide is COc1cc(C(=O)NCCS(=O)(=O)c2ccccc2)ccc1NC(=O)Nc1cnccn1.
What is the InChIKey of N-[2-(benzenesulfonyl)ethyl]-3-methoxy-4-(pyrazin-2-ylcarbamoylamino)benzamide?
The InChIKey is HODLXMRIAPRKJG-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H21N5O5S/c1-31-18-13-15(7-8-17(18)25-21(28)26-19-14-22-9-10-23-19)20(27)24-11-12-32(29,30)16-5-3-2-4-6-16/h2-10,13-14H,11-12H2,1H3,(H,24,27)(H2,23,25,26,28).
What are the key properties of N-[2-(benzenesulfonyl)ethyl]-3-methoxy-4-(pyrazin-2-ylcarbamoylamino)benzamide?
N-[2-(benzenesulfonyl)ethyl]-3-methoxy-4-(pyrazin-2-ylcarbamoylamino)benzamide has a molecular weight of 455.50 g/mol, XLogP of 2.33, 8 rotatable bonds, 3 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(benzenesulfonyl)ethyl]-3-methoxy-4-(pyrazin-2-ylcarbamoylamino)benzamide is sourced from PubChem (CID 22046512), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).