(2S)-2-amino-N-[[4-(4-chloro-2-ethylphenyl)sulfonylmorpholin-2-yl]methyl]-4-methylpentanamide

C19H30ClN3O4S — CID 143304614

IUPAC(2S)-2-amino-N-[[4-(4-chloro-2-ethylphenyl)sulfonylmorpholin-2-yl]methyl]-4-methylpentanamide
SMILESCCc1cc(Cl)ccc1S(=O)(=O)N1CCOC(CNC(=O)[C@@H](N)CC(C)C)C1
InChIInChI=1S/C19H30ClN3O4S/c1-4-14-10-15(20)5-6-18(14)28(25,26)23-7-8-27-16(12-23)11-22-19(24)17(21)9-13(2)3/h5-6,10,13,16-17H,4,7-9,11-12,21H2,1-3H3,(H,22,24)/t16?,17-/m0/s1
InChIKeyRQWGGVDLVZPUBE-DJNXLDHESA-N
MW431.99 g/mol
LogP1.78
Rot. Bonds8

About (2S)-2-amino-N-[[4-(4-chloro-2-ethylphenyl)sulfonylmorpholin-2-yl]methyl]-4-methylpentanamide

(2S)-2-amino-N-[[4-(4-chloro-2-ethylphenyl)sulfonylmorpholin-2-yl]methyl]-4-methylpentanamide (PubChem CID 143304614) has the molecular formula C19H30ClN3O4S and a molecular weight of 431.99 g/mol. Its IUPAC name is (2S)-2-amino-N-[[4-(4-chloro-2-ethylphenyl)sulfonylmorpholin-2-yl]methyl]-4-methylpentanamide.

Molecular Properties

Compound Name(2S)-2-amino-N-[[4-(4-chloro-2-ethylphenyl)sulfonylmorpholin-2-yl]methyl]-4-methylpentanamide
PubChem CID143304614
Molecular FormulaC19H30ClN3O4S
Molecular Weight431.99 g/mol
Exact Mass431.16
IUPAC Name(2S)-2-amino-N-[[4-(4-chloro-2-ethylphenyl)sulfonylmorpholin-2-yl]methyl]-4-methylpentanamide
SMILESCCc1cc(Cl)ccc1S(=O)(=O)N1CCOC(CNC(=O)[C@@H](N)CC(C)C)C1
InChIInChI=1S/C19H30ClN3O4S/c1-4-14-10-15(20)5-6-18(14)28(25,26)23-7-8-27-16(12-23)11-22-19(24)17(21)9-13(2)3/h5-6,10,13,16-17H,4,7-9,11-12,21H2,1-3H3,(H,22,24)/t16?,17-/m0/s1
InChIKeyRQWGGVDLVZPUBE-DJNXLDHESA-N
XLogP1.78
TPSA101.73 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500431.99
LogP ≤ 51.78
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze (2S)-2-amino-N-[[4-(4-chloro-2-ethylphenyl)sulfonylmorpholin-2-yl]methyl]-4-methylpentanamide with MolForge

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Related Compounds

N-[(2S)-1-[[4-(2,4-dichlorophenyl)sulfonylmorpholin-2-yl]methylamino]-1-oxopropan-2-yl]-1-benzothiophene-2-carboxamide
CID 11951752
(2S,3S)-2-(3-cyclopentylpropanoylamino)-N-[[4-(2,4-dichlorophenyl)sulfonylmorpholin-2-yl]methyl]-3-methylpentanamide
CID 11951925
N-[(2R)-1-[[4-(benzenesulfonyl)morpholin-2-yl]methylamino]-4-methyl-1-oxopentan-2-yl]-1-benzothiophene-2-carboxamide
CID 68945479
2-[[4-(2,4-dichlorophenyl)sulfonylmorpholin-2-yl]methyl-methylamino]acetic acid
CID 122072108
(2S)-2-amino-N-(4-ethoxy-3-morpholin-4-ylsulfonylphenyl)-4-methylpentanamide
CID 119693241
2-methyl-N-[[(2S)-4-methylmorpholin-2-yl]methyl]propanamide
CID 153398973
2-amino-4-chloro-N-[(4-methylmorpholin-2-yl)methyl]benzenesulfonamide
CID 79083271
4-chloro-2-fluoro-N-[[4-(2-methylpropyl)morpholin-2-yl]methyl]benzamide
CID 24642416
(2S)-2-amino-N-[(4-benzylmorpholin-2-yl)methyl]propanamide
CID 119829898
(2R)-2-amino-N-[(4-benzylmorpholin-2-yl)methyl]propanamide
CID 119829876
3-(2-ethylmorpholin-4-yl)sulfonyl-4-fluorobenzoic acid
CID 43421826
[4-(4-amino-2-chlorophenyl)sulfonylmorpholin-2-yl]methanol
CID 81206052

Frequently Asked Questions

What is the IUPAC name of (2S)-2-amino-N-[[4-(4-chloro-2-ethylphenyl)sulfonylmorpholin-2-yl]methyl]-4-methylpentanamide?
The IUPAC name of (2S)-2-amino-N-[[4-(4-chloro-2-ethylphenyl)sulfonylmorpholin-2-yl]methyl]-4-methylpentanamide (CID 143304614) is (2S)-2-amino-N-[[4-(4-chloro-2-ethylphenyl)sulfonylmorpholin-2-yl]methyl]-4-methylpentanamide.
What is the SMILES notation for (2S)-2-amino-N-[[4-(4-chloro-2-ethylphenyl)sulfonylmorpholin-2-yl]methyl]-4-methylpentanamide?
The canonical SMILES for (2S)-2-amino-N-[[4-(4-chloro-2-ethylphenyl)sulfonylmorpholin-2-yl]methyl]-4-methylpentanamide is CCc1cc(Cl)ccc1S(=O)(=O)N1CCOC(CNC(=O)[C@@H](N)CC(C)C)C1.
What is the InChIKey of (2S)-2-amino-N-[[4-(4-chloro-2-ethylphenyl)sulfonylmorpholin-2-yl]methyl]-4-methylpentanamide?
The InChIKey is RQWGGVDLVZPUBE-DJNXLDHESA-N. The full InChI is InChI=1S/C19H30ClN3O4S/c1-4-14-10-15(20)5-6-18(14)28(25,26)23-7-8-27-16(12-23)11-22-19(24)17(21)9-13(2)3/h5-6,10,13,16-17H,4,7-9,11-12,21H2,1-3H3,(H,22,24)/t16?,17-/m0/s1.
What are the key properties of (2S)-2-amino-N-[[4-(4-chloro-2-ethylphenyl)sulfonylmorpholin-2-yl]methyl]-4-methylpentanamide?
(2S)-2-amino-N-[[4-(4-chloro-2-ethylphenyl)sulfonylmorpholin-2-yl]methyl]-4-methylpentanamide has a molecular weight of 431.99 g/mol, XLogP of 1.78, 8 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-amino-N-[[4-(4-chloro-2-ethylphenyl)sulfonylmorpholin-2-yl]methyl]-4-methylpentanamide is sourced from PubChem (CID 143304614), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).