N-[[5-[(2S)-2-(cyclopropanecarbonyl)morpholin-4-yl]sulfonyl-2-methoxyphenyl]methyl]propanamide

C19H26N2O6S — CID 100762123

IUPACN-[[5-[(2S)-2-(cyclopropanecarbonyl)morpholin-4-yl]sulfonyl-2-methoxyphenyl]methyl]propanamide
SMILESCCC(=O)NCc1cc(S(=O)(=O)N2CCO[C@H](C(=O)C3CC3)C2)ccc1OC
InChIInChI=1S/C19H26N2O6S/c1-3-18(22)20-11-14-10-15(6-7-16(14)26-2)28(24,25)21-8-9-27-17(12-21)19(23)13-4-5-13/h6-7,10,13,17H,3-5,8-9,11-12H2,1-2H3,(H,20,22)/t17-/m0/s1
InChIKeyXXRMWJJRUBJWPO-KRWDZBQOSA-N
MW410.49 g/mol
LogP1.09
Rot. Bonds8

About N-[[5-[(2S)-2-(cyclopropanecarbonyl)morpholin-4-yl]sulfonyl-2-methoxyphenyl]methyl]propanamide

N-[[5-[(2S)-2-(cyclopropanecarbonyl)morpholin-4-yl]sulfonyl-2-methoxyphenyl]methyl]propanamide (PubChem CID 100762123) has the molecular formula C19H26N2O6S and a molecular weight of 410.49 g/mol. Its IUPAC name is N-[[5-[(2S)-2-(cyclopropanecarbonyl)morpholin-4-yl]sulfonyl-2-methoxyphenyl]methyl]propanamide.

Molecular Properties

Compound NameN-[[5-[(2S)-2-(cyclopropanecarbonyl)morpholin-4-yl]sulfonyl-2-methoxyphenyl]methyl]propanamide
PubChem CID100762123
Molecular FormulaC19H26N2O6S
Molecular Weight410.49 g/mol
Exact Mass410.15
IUPAC NameN-[[5-[(2S)-2-(cyclopropanecarbonyl)morpholin-4-yl]sulfonyl-2-methoxyphenyl]methyl]propanamide
SMILESCCC(=O)NCc1cc(S(=O)(=O)N2CCO[C@H](C(=O)C3CC3)C2)ccc1OC
InChIInChI=1S/C19H26N2O6S/c1-3-18(22)20-11-14-10-15(6-7-16(14)26-2)28(24,25)21-8-9-27-17(12-21)19(23)13-4-5-13/h6-7,10,13,17H,3-5,8-9,11-12H2,1-2H3,(H,20,22)/t17-/m0/s1
InChIKeyXXRMWJJRUBJWPO-KRWDZBQOSA-N
XLogP1.09
TPSA102.01 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500410.49
LogP ≤ 51.09
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

N-[[5-[(2R)-2-(cyclopropanecarbonyl)morpholin-4-yl]sulfonyl-2-methoxyphenyl]methyl]propanamide
CID 100762127
cyclopropyl-[(2R)-4-(4,5-dimethoxy-2-methylphenyl)sulfonylmorpholin-2-yl]methanone
CID 100762109
N-(2-methoxy-5-pyrrolidin-1-ylsulfonylphenyl)propanamide
CID 27209925
N-[[5-[(2-amino-2-cyclopropylethyl)sulfamoyl]-2-methoxyphenyl]methyl]propanamide
CID 120582674
N-[2-methoxy-5-(4-methylpiperidin-1-yl)sulfonylphenyl]propanamide
CID 27211523
3-(2-methoxy-5-piperidin-1-ylsulfonylphenyl)-N-[[4-(3-methylpiperidin-1-yl)phenyl]methyl]propanamide
CID 133210969
3-(2-methoxy-5-piperidin-1-ylsulfonylphenyl)-N-pentan-2-ylpropanamide
CID 133265330
N-[(3,4-dimethoxyphenyl)methyl]-1-(3,4-dimethoxyphenyl)sulfonylpiperidine-3-carboxamide
CID 43872913
(3S)-1-(4-methoxy-3-methylphenyl)sulfonyl-N-[(4-morpholin-4-ylsulfonylphenyl)methyl]piperidine-3-carboxamide
CID 94861835
(3R)-N-[(2,5-dimethoxyphenyl)methyl]-1-(1-ethylindol-5-yl)sulfonylpiperidine-3-carboxamide
CID 92751328
N-(2-methoxy-4-piperidin-1-ylsulfonylphenyl)propanamide
CID 763228
1-(1,3-benzodioxol-5-ylsulfonyl)-N-[(2-methoxyphenyl)methyl]piperidine-3-carboxamide
CID 3214811

Frequently Asked Questions

What is the IUPAC name of N-[[5-[(2S)-2-(cyclopropanecarbonyl)morpholin-4-yl]sulfonyl-2-methoxyphenyl]methyl]propanamide?
The IUPAC name of N-[[5-[(2S)-2-(cyclopropanecarbonyl)morpholin-4-yl]sulfonyl-2-methoxyphenyl]methyl]propanamide (CID 100762123) is N-[[5-[(2S)-2-(cyclopropanecarbonyl)morpholin-4-yl]sulfonyl-2-methoxyphenyl]methyl]propanamide.
What is the SMILES notation for N-[[5-[(2S)-2-(cyclopropanecarbonyl)morpholin-4-yl]sulfonyl-2-methoxyphenyl]methyl]propanamide?
The canonical SMILES for N-[[5-[(2S)-2-(cyclopropanecarbonyl)morpholin-4-yl]sulfonyl-2-methoxyphenyl]methyl]propanamide is CCC(=O)NCc1cc(S(=O)(=O)N2CCO[C@H](C(=O)C3CC3)C2)ccc1OC.
What is the InChIKey of N-[[5-[(2S)-2-(cyclopropanecarbonyl)morpholin-4-yl]sulfonyl-2-methoxyphenyl]methyl]propanamide?
The InChIKey is XXRMWJJRUBJWPO-KRWDZBQOSA-N. The full InChI is InChI=1S/C19H26N2O6S/c1-3-18(22)20-11-14-10-15(6-7-16(14)26-2)28(24,25)21-8-9-27-17(12-21)19(23)13-4-5-13/h6-7,10,13,17H,3-5,8-9,11-12H2,1-2H3,(H,20,22)/t17-/m0/s1.
What are the key properties of N-[[5-[(2S)-2-(cyclopropanecarbonyl)morpholin-4-yl]sulfonyl-2-methoxyphenyl]methyl]propanamide?
N-[[5-[(2S)-2-(cyclopropanecarbonyl)morpholin-4-yl]sulfonyl-2-methoxyphenyl]methyl]propanamide has a molecular weight of 410.49 g/mol, XLogP of 1.09, 8 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[5-[(2S)-2-(cyclopropanecarbonyl)morpholin-4-yl]sulfonyl-2-methoxyphenyl]methyl]propanamide is sourced from PubChem (CID 100762123), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).