N-(2-morpholin-4-ylethyl)-2-[(3-phenoxyphenyl)methylsulfamoylamino]propanamide

C22H30N4O5S — CID 57391402

IUPACN-(2-morpholin-4-ylethyl)-2-[(3-phenoxyphenyl)methylsulfamoylamino]propanamide
SMILESCC(NS(=O)(=O)NCc1cccc(Oc2ccccc2)c1)C(=O)NCCN1CCOCC1
InChIInChI=1S/C22H30N4O5S/c1-18(22(27)23-10-11-26-12-14-30-15-13-26)25-32(28,29)24-17-19-6-5-9-21(16-19)31-20-7-3-2-4-8-20/h2-9,16,18,24-25H,10-15,17H2,1H3,(H,23,27)
InChIKeyREXJPPTXHGBUGU-UHFFFAOYSA-N
MW462.57 g/mol
LogP1.24
Rot. Bonds11

About N-(2-morpholin-4-ylethyl)-2-[(3-phenoxyphenyl)methylsulfamoylamino]propanamide

N-(2-morpholin-4-ylethyl)-2-[(3-phenoxyphenyl)methylsulfamoylamino]propanamide (PubChem CID 57391402) has the molecular formula C22H30N4O5S and a molecular weight of 462.57 g/mol. Its IUPAC name is N-(2-morpholin-4-ylethyl)-2-[(3-phenoxyphenyl)methylsulfamoylamino]propanamide.

Molecular Properties

Compound NameN-(2-morpholin-4-ylethyl)-2-[(3-phenoxyphenyl)methylsulfamoylamino]propanamide
PubChem CID57391402
Molecular FormulaC22H30N4O5S
Molecular Weight462.57 g/mol
Exact Mass462.19
IUPAC NameN-(2-morpholin-4-ylethyl)-2-[(3-phenoxyphenyl)methylsulfamoylamino]propanamide
SMILESCC(NS(=O)(=O)NCc1cccc(Oc2ccccc2)c1)C(=O)NCCN1CCOCC1
InChIInChI=1S/C22H30N4O5S/c1-18(22(27)23-10-11-26-12-14-30-15-13-26)25-32(28,29)24-17-19-6-5-9-21(16-19)31-20-7-3-2-4-8-20/h2-9,16,18,24-25H,10-15,17H2,1H3,(H,23,27)
InChIKeyREXJPPTXHGBUGU-UHFFFAOYSA-N
XLogP1.24
TPSA109.00 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds11
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500462.57
LogP ≤ 51.24
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

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Related Compounds

2-methyl-1-(2-morpholin-4-ylethyl)-3-[(3-phenoxyphenyl)methyl]guanidine
CID 111069368
(4R)-4-morpholin-4-yl-N-[(3-phenoxyphenyl)methyl]pentanamide
CID 125164955
1-(4-benzylpiperazin-1-yl)-2-[(3-phenoxyphenyl)methylsulfamoylamino]ethanone
CID 57345556
2-(3-methylphenoxy)-N-(2-morpholin-4-ylethyl)propanamide
CID 21368370
5-morpholin-4-ylsulfonyl-N-[(3-phenoxyphenyl)methyl]furan-2-carboxamide
CID 39576917
3-amino-2-methyl-N-[[3-(2-morpholin-4-ylethoxy)phenyl]methyl]butanamide
CID 120503385
1-benzyl-3-[[3-(2-morpholin-4-ylethoxy)phenyl]methyl]urea
CID 47079982
(2S)-2-amino-N-(2-morpholin-4-ylethyl)-4-phenylbutanamide
CID 104983793
N-[[3-(morpholin-4-ylmethyl)phenyl]methyl]-2-phenoxypropanamide
CID 75814355
1-(3-morpholin-4-ylpropyl)-2-[(3-phenoxyphenyl)methyl]guanidine;hydroiodide
CID 111069355
2-(N-methylsulfonyl-4-phenoxyanilino)-N-(2-morpholin-4-ylethyl)acetamide
CID 6494069
(2R)-N-(2-morpholin-4-ylethyl)-3-phenyl-2-pyrrol-1-ylpropanamide
CID 110205726

Frequently Asked Questions

What is the IUPAC name of N-(2-morpholin-4-ylethyl)-2-[(3-phenoxyphenyl)methylsulfamoylamino]propanamide?
The IUPAC name of N-(2-morpholin-4-ylethyl)-2-[(3-phenoxyphenyl)methylsulfamoylamino]propanamide (CID 57391402) is N-(2-morpholin-4-ylethyl)-2-[(3-phenoxyphenyl)methylsulfamoylamino]propanamide.
What is the SMILES notation for N-(2-morpholin-4-ylethyl)-2-[(3-phenoxyphenyl)methylsulfamoylamino]propanamide?
The canonical SMILES for N-(2-morpholin-4-ylethyl)-2-[(3-phenoxyphenyl)methylsulfamoylamino]propanamide is CC(NS(=O)(=O)NCc1cccc(Oc2ccccc2)c1)C(=O)NCCN1CCOCC1.
What is the InChIKey of N-(2-morpholin-4-ylethyl)-2-[(3-phenoxyphenyl)methylsulfamoylamino]propanamide?
The InChIKey is REXJPPTXHGBUGU-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H30N4O5S/c1-18(22(27)23-10-11-26-12-14-30-15-13-26)25-32(28,29)24-17-19-6-5-9-21(16-19)31-20-7-3-2-4-8-20/h2-9,16,18,24-25H,10-15,17H2,1H3,(H,23,27).
What are the key properties of N-(2-morpholin-4-ylethyl)-2-[(3-phenoxyphenyl)methylsulfamoylamino]propanamide?
N-(2-morpholin-4-ylethyl)-2-[(3-phenoxyphenyl)methylsulfamoylamino]propanamide has a molecular weight of 462.57 g/mol, XLogP of 1.24, 11 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-morpholin-4-ylethyl)-2-[(3-phenoxyphenyl)methylsulfamoylamino]propanamide is sourced from PubChem (CID 57391402), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).