N-[1-(2-methylphenoxy)propan-2-yl]-2-(N-methylsulfonyl-4-morpholin-4-ylsulfonylanilino)acetamide

C23H31N3O7S2 — CID 43901349

IUPACN-[1-(2-methylphenoxy)propan-2-yl]-2-(N-methylsulfonyl-4-morpholin-4-ylsulfonylanilino)acetamide
SMILESCc1ccccc1OCC(C)NC(=O)CN(c1ccc(S(=O)(=O)N2CCOCC2)cc1)S(C)(=O)=O
InChIInChI=1S/C23H31N3O7S2/c1-18-6-4-5-7-22(18)33-17-19(2)24-23(27)16-26(34(3,28)29)20-8-10-21(11-9-20)35(30,31)25-12-14-32-15-13-25/h4-11,19H,12-17H2,1-3H3,(H,24,27)
InChIKeyGQNQJQQKMTWRIU-UHFFFAOYSA-N
MW525.65 g/mol
LogP1.37
Rot. Bonds10

About N-[1-(2-methylphenoxy)propan-2-yl]-2-(N-methylsulfonyl-4-morpholin-4-ylsulfonylanilino)acetamide

N-[1-(2-methylphenoxy)propan-2-yl]-2-(N-methylsulfonyl-4-morpholin-4-ylsulfonylanilino)acetamide (PubChem CID 43901349) has the molecular formula C23H31N3O7S2 and a molecular weight of 525.65 g/mol. Its IUPAC name is N-[1-(2-methylphenoxy)propan-2-yl]-2-(N-methylsulfonyl-4-morpholin-4-ylsulfonylanilino)acetamide.

Molecular Properties

Compound NameN-[1-(2-methylphenoxy)propan-2-yl]-2-(N-methylsulfonyl-4-morpholin-4-ylsulfonylanilino)acetamide
PubChem CID43901349
Molecular FormulaC23H31N3O7S2
Molecular Weight525.65 g/mol
Exact Mass525.16
IUPAC NameN-[1-(2-methylphenoxy)propan-2-yl]-2-(N-methylsulfonyl-4-morpholin-4-ylsulfonylanilino)acetamide
SMILESCc1ccccc1OCC(C)NC(=O)CN(c1ccc(S(=O)(=O)N2CCOCC2)cc1)S(C)(=O)=O
InChIInChI=1S/C23H31N3O7S2/c1-18-6-4-5-7-22(18)33-17-19(2)24-23(27)16-26(34(3,28)29)20-8-10-21(11-9-20)35(30,31)25-12-14-32-15-13-25/h4-11,19H,12-17H2,1-3H3,(H,24,27)
InChIKeyGQNQJQQKMTWRIU-UHFFFAOYSA-N
XLogP1.37
TPSA122.32 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds10
Heavy Atoms35
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500525.65
LogP ≤ 51.37
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Related Compounds

2-(4-fluoro-N-methylsulfonylanilino)-N-[1-(2-methylphenoxy)propan-2-yl]acetamide
CID 43895851
N-[1-(2-methylphenoxy)propan-2-yl]-2-(N-methylsulfonyl-4-propan-2-ylanilino)acetamide
CID 43895374
2-(3-chloro-4-methyl-N-methylsulfonylanilino)-N-[(2R)-1-(2-methylphenoxy)propan-2-yl]acetamide
CID 30223325
2-(N-methylsulfonyl-4-morpholin-4-ylsulfonylanilino)-N-(1-phenylethyl)acetamide
CID 43899401
2-(3-chloro-4-methyl-N-methylsulfonylanilino)-N-[1-(2-methylphenoxy)propan-2-yl]acetamide
CID 43896037
2-(4-ethyl-N-methylsulfonylanilino)-N-[(2R)-1-(2-methylphenoxy)propan-2-yl]acetamide
CID 30242468
2-[2,3-dihydro-1,4-benzodioxin-6-yl(methylsulfonyl)amino]-N-[(2R)-1-(2-methylphenoxy)propan-2-yl]acetamide
CID 30252600
2-(4-ethoxy-N-methylsulfonylanilino)-N-[(2R)-1-(2-methylphenoxy)propan-2-yl]acetamide
CID 30220436
N,N-dimethyl-4-[[2-[1-(2-methylphenoxy)propan-2-ylamino]-2-oxoethyl]-methylsulfonylamino]benzamide
CID 43901345
N-[1-(3,4-dimethylphenyl)ethyl]-2-(N-methylsulfonyl-4-morpholin-4-ylsulfonylanilino)acetamide
CID 43901680
3-(2-methoxy-5-morpholin-4-ylsulfonylphenyl)-N-[(2S)-1-(2-methylphenoxy)propan-2-yl]propanamide
CID 100545266
3-(2-methoxy-5-morpholin-4-ylsulfonylphenyl)-N-[1-(2-methylphenoxy)propan-2-yl]propanamide
CID 133164943

Frequently Asked Questions

What is the IUPAC name of N-[1-(2-methylphenoxy)propan-2-yl]-2-(N-methylsulfonyl-4-morpholin-4-ylsulfonylanilino)acetamide?
The IUPAC name of N-[1-(2-methylphenoxy)propan-2-yl]-2-(N-methylsulfonyl-4-morpholin-4-ylsulfonylanilino)acetamide (CID 43901349) is N-[1-(2-methylphenoxy)propan-2-yl]-2-(N-methylsulfonyl-4-morpholin-4-ylsulfonylanilino)acetamide.
What is the SMILES notation for N-[1-(2-methylphenoxy)propan-2-yl]-2-(N-methylsulfonyl-4-morpholin-4-ylsulfonylanilino)acetamide?
The canonical SMILES for N-[1-(2-methylphenoxy)propan-2-yl]-2-(N-methylsulfonyl-4-morpholin-4-ylsulfonylanilino)acetamide is Cc1ccccc1OCC(C)NC(=O)CN(c1ccc(S(=O)(=O)N2CCOCC2)cc1)S(C)(=O)=O.
What is the InChIKey of N-[1-(2-methylphenoxy)propan-2-yl]-2-(N-methylsulfonyl-4-morpholin-4-ylsulfonylanilino)acetamide?
The InChIKey is GQNQJQQKMTWRIU-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H31N3O7S2/c1-18-6-4-5-7-22(18)33-17-19(2)24-23(27)16-26(34(3,28)29)20-8-10-21(11-9-20)35(30,31)25-12-14-32-15-13-25/h4-11,19H,12-17H2,1-3H3,(H,24,27).
What are the key properties of N-[1-(2-methylphenoxy)propan-2-yl]-2-(N-methylsulfonyl-4-morpholin-4-ylsulfonylanilino)acetamide?
N-[1-(2-methylphenoxy)propan-2-yl]-2-(N-methylsulfonyl-4-morpholin-4-ylsulfonylanilino)acetamide has a molecular weight of 525.65 g/mol, XLogP of 1.37, 10 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(2-methylphenoxy)propan-2-yl]-2-(N-methylsulfonyl-4-morpholin-4-ylsulfonylanilino)acetamide is sourced from PubChem (CID 43901349), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).