(2S)-2-[(4-methoxyphenyl)sulfonylamino]-3-methyl-N-[[4-(2-methylpropyl)morpholin-2-yl]methyl]butanamide

C21H35N3O5S — CID 55938732

IUPAC(2S)-2-[(4-methoxyphenyl)sulfonylamino]-3-methyl-N-[[4-(2-methylpropyl)morpholin-2-yl]methyl]butanamide
SMILESCOc1ccc(S(=O)(=O)N[C@H](C(=O)NCC2CN(CC(C)C)CCO2)C(C)C)cc1
InChIInChI=1S/C21H35N3O5S/c1-15(2)13-24-10-11-29-18(14-24)12-22-21(25)20(16(3)4)23-30(26,27)19-8-6-17(28-5)7-9-19/h6-9,15-16,18,20,23H,10-14H2,1-5H3,(H,22,25)/t18?,20-/m0/s1
InChIKeySKPONXKKAVQDLK-IJHRGXPZSA-N
MW441.59 g/mol
LogP1.47
Rot. Bonds10

About (2S)-2-[(4-methoxyphenyl)sulfonylamino]-3-methyl-N-[[4-(2-methylpropyl)morpholin-2-yl]methyl]butanamide

(2S)-2-[(4-methoxyphenyl)sulfonylamino]-3-methyl-N-[[4-(2-methylpropyl)morpholin-2-yl]methyl]butanamide (PubChem CID 55938732) has the molecular formula C21H35N3O5S and a molecular weight of 441.59 g/mol. Its IUPAC name is (2S)-2-[(4-methoxyphenyl)sulfonylamino]-3-methyl-N-[[4-(2-methylpropyl)morpholin-2-yl]methyl]butanamide.

Molecular Properties

Compound Name(2S)-2-[(4-methoxyphenyl)sulfonylamino]-3-methyl-N-[[4-(2-methylpropyl)morpholin-2-yl]methyl]butanamide
PubChem CID55938732
Molecular FormulaC21H35N3O5S
Molecular Weight441.59 g/mol
Exact Mass441.23
IUPAC Name(2S)-2-[(4-methoxyphenyl)sulfonylamino]-3-methyl-N-[[4-(2-methylpropyl)morpholin-2-yl]methyl]butanamide
SMILESCOc1ccc(S(=O)(=O)N[C@H](C(=O)NCC2CN(CC(C)C)CCO2)C(C)C)cc1
InChIInChI=1S/C21H35N3O5S/c1-15(2)13-24-10-11-29-18(14-24)12-22-21(25)20(16(3)4)23-30(26,27)19-8-6-17(28-5)7-9-19/h6-9,15-16,18,20,23H,10-14H2,1-5H3,(H,22,25)/t18?,20-/m0/s1
InChIKeySKPONXKKAVQDLK-IJHRGXPZSA-N
XLogP1.47
TPSA96.97 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds10
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500441.59
LogP ≤ 51.47
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Analyze (2S)-2-[(4-methoxyphenyl)sulfonylamino]-3-methyl-N-[[4-(2-methylpropyl)morpholin-2-yl]methyl]butanamide with MolForge

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Related Compounds

(2S)-2-[(4-bromophenyl)sulfonylamino]-3-methyl-N-[[(2R)-4-(2-methylpropyl)morpholin-2-yl]methyl]butanamide
CID 39484110
1-[(4-methoxyphenyl)methyl]-3-[[4-(2-methylpropyl)morpholin-2-yl]methyl]urea
CID 42889274
(2S)-2-acetamido-3-methyl-N-[[(2R)-4-(2-methylpropyl)morpholin-2-yl]methyl]butanamide
CID 35361579
2-[1-(4-methoxyphenyl)ethyl-methylamino]-N-[[4-(2-methylpropyl)morpholin-2-yl]methyl]acetamide
CID 55551459
2-[(2S)-4-[(2R)-2-[(4-methoxyphenyl)sulfonylamino]-3-methylbutanoyl]morpholin-2-yl]acetic acid
CID 97324660
2-[cyclopropyl-[(4-methoxyphenyl)methyl]amino]-N-[[4-(2-methylpropyl)morpholin-2-yl]methyl]acetamide
CID 51226589
(2R)-2-[(4-methoxyphenyl)sulfonylamino]-N-[[(2R)-oxolan-2-yl]methyl]propanamide
CID 7453365
3-[(4-methoxyphenyl)-methylsulfamoyl]-N-[[4-(2-methylpropyl)morpholin-2-yl]methyl]benzamide
CID 43017063
2-[(4-methoxyphenyl)sulfonylamino]-3-methyl-N-(pyrrolidin-2-ylmethyl)butanamide
CID 119513298
4-[(2S)-2-[(4-methoxyphenyl)sulfonylamino]-3-methylbutanoyl]morpholine-2-carboxamide
CID 47088115
N-[[(2R)-4-(2-methylpropyl)morpholin-2-yl]methyl]-2,2-diphenylacetamide
CID 7995361
5-methoxy-3-methyl-N-[[(2S)-4-(2-methylpropyl)morpholin-2-yl]methyl]-1-benzofuran-2-carboxamide
CID 8511292

Frequently Asked Questions

What is the IUPAC name of (2S)-2-[(4-methoxyphenyl)sulfonylamino]-3-methyl-N-[[4-(2-methylpropyl)morpholin-2-yl]methyl]butanamide?
The IUPAC name of (2S)-2-[(4-methoxyphenyl)sulfonylamino]-3-methyl-N-[[4-(2-methylpropyl)morpholin-2-yl]methyl]butanamide (CID 55938732) is (2S)-2-[(4-methoxyphenyl)sulfonylamino]-3-methyl-N-[[4-(2-methylpropyl)morpholin-2-yl]methyl]butanamide.
What is the SMILES notation for (2S)-2-[(4-methoxyphenyl)sulfonylamino]-3-methyl-N-[[4-(2-methylpropyl)morpholin-2-yl]methyl]butanamide?
The canonical SMILES for (2S)-2-[(4-methoxyphenyl)sulfonylamino]-3-methyl-N-[[4-(2-methylpropyl)morpholin-2-yl]methyl]butanamide is COc1ccc(S(=O)(=O)N[C@H](C(=O)NCC2CN(CC(C)C)CCO2)C(C)C)cc1.
What is the InChIKey of (2S)-2-[(4-methoxyphenyl)sulfonylamino]-3-methyl-N-[[4-(2-methylpropyl)morpholin-2-yl]methyl]butanamide?
The InChIKey is SKPONXKKAVQDLK-IJHRGXPZSA-N. The full InChI is InChI=1S/C21H35N3O5S/c1-15(2)13-24-10-11-29-18(14-24)12-22-21(25)20(16(3)4)23-30(26,27)19-8-6-17(28-5)7-9-19/h6-9,15-16,18,20,23H,10-14H2,1-5H3,(H,22,25)/t18?,20-/m0/s1.
What are the key properties of (2S)-2-[(4-methoxyphenyl)sulfonylamino]-3-methyl-N-[[4-(2-methylpropyl)morpholin-2-yl]methyl]butanamide?
(2S)-2-[(4-methoxyphenyl)sulfonylamino]-3-methyl-N-[[4-(2-methylpropyl)morpholin-2-yl]methyl]butanamide has a molecular weight of 441.59 g/mol, XLogP of 1.47, 10 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-[(4-methoxyphenyl)sulfonylamino]-3-methyl-N-[[4-(2-methylpropyl)morpholin-2-yl]methyl]butanamide is sourced from PubChem (CID 55938732), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).