N-[(2R)-5-methylhexan-2-yl]-3-morpholin-4-ylsulfonylbenzamide

C18H28N2O4S — CID 7688948

IUPACN-[(2R)-5-methylhexan-2-yl]-3-morpholin-4-ylsulfonylbenzamide
SMILESCC(C)CC[C@@H](C)NC(=O)c1cccc(S(=O)(=O)N2CCOCC2)c1
InChIInChI=1S/C18H28N2O4S/c1-14(2)7-8-15(3)19-18(21)16-5-4-6-17(13-16)25(22,23)20-9-11-24-12-10-20/h4-6,13-15H,7-12H2,1-3H3,(H,19,21)/t15-/m1/s1
InChIKeyXSGROHZPDNNDEK-OAHLLOKOSA-N
MW368.50 g/mol
LogP2.26
Rot. Bonds7

About N-[(2R)-5-methylhexan-2-yl]-3-morpholin-4-ylsulfonylbenzamide

N-[(2R)-5-methylhexan-2-yl]-3-morpholin-4-ylsulfonylbenzamide (PubChem CID 7688948) has the molecular formula C18H28N2O4S and a molecular weight of 368.50 g/mol. Its IUPAC name is N-[(2R)-5-methylhexan-2-yl]-3-morpholin-4-ylsulfonylbenzamide.

Molecular Properties

Compound NameN-[(2R)-5-methylhexan-2-yl]-3-morpholin-4-ylsulfonylbenzamide
PubChem CID7688948
Molecular FormulaC18H28N2O4S
Molecular Weight368.50 g/mol
Exact Mass368.18
IUPAC NameN-[(2R)-5-methylhexan-2-yl]-3-morpholin-4-ylsulfonylbenzamide
SMILESCC(C)CC[C@@H](C)NC(=O)c1cccc(S(=O)(=O)N2CCOCC2)c1
InChIInChI=1S/C18H28N2O4S/c1-14(2)7-8-15(3)19-18(21)16-5-4-6-17(13-16)25(22,23)20-9-11-24-12-10-20/h4-6,13-15H,7-12H2,1-3H3,(H,19,21)/t15-/m1/s1
InChIKeyXSGROHZPDNNDEK-OAHLLOKOSA-N
XLogP2.26
TPSA75.71 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500368.50
LogP ≤ 52.26
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-butan-2-yl-3-morpholin-4-ylsulfonylbenzamide
CID 42906024
3-morpholin-4-ylsulfonyl-N-(1-phenylethyl)benzamide
CID 4541490
N-[1-(ethylamino)-1-oxopropan-2-yl]-3-morpholin-4-ylsulfonylbenzamide
CID 45353538
4-chloro-N-(5-methylhexan-2-yl)-3-morpholin-4-ylsulfonylbenzamide
CID 42904495
3-morpholin-4-ylsulfonyl-N-[(2R)-1-oxo-1-(propylamino)propan-2-yl]benzamide
CID 8733022
N-[(1S)-1-(furan-2-yl)ethyl]-3-morpholin-4-ylsulfonylbenzamide
CID 9481709
4-methoxy-2-[(3-morpholin-4-ylsulfonylbenzoyl)amino]butanoic acid
CID 120702004
N-[(2S)-butan-2-yl]-2-[(3-morpholin-4-ylsulfonylbenzoyl)amino]benzamide
CID 26706203
N-[(1S)-1-(4-chlorophenyl)ethyl]-3-morpholin-4-ylsulfonylbenzamide
CID 7733419
N-[(1R)-2-(dimethylamino)-1-phenylethyl]-3-morpholin-4-ylsulfonylbenzamide
CID 8936210
N-[(2R)-butan-2-yl]-3-piperidin-1-ylsulfonylbenzamide
CID 34269316
N-[(1R)-1-(3-chlorophenyl)ethyl]-3-morpholin-4-ylsulfonylbenzamide
CID 7944643

Frequently Asked Questions

What is the IUPAC name of N-[(2R)-5-methylhexan-2-yl]-3-morpholin-4-ylsulfonylbenzamide?
The IUPAC name of N-[(2R)-5-methylhexan-2-yl]-3-morpholin-4-ylsulfonylbenzamide (CID 7688948) is N-[(2R)-5-methylhexan-2-yl]-3-morpholin-4-ylsulfonylbenzamide.
What is the SMILES notation for N-[(2R)-5-methylhexan-2-yl]-3-morpholin-4-ylsulfonylbenzamide?
The canonical SMILES for N-[(2R)-5-methylhexan-2-yl]-3-morpholin-4-ylsulfonylbenzamide is CC(C)CC[C@@H](C)NC(=O)c1cccc(S(=O)(=O)N2CCOCC2)c1.
What is the InChIKey of N-[(2R)-5-methylhexan-2-yl]-3-morpholin-4-ylsulfonylbenzamide?
The InChIKey is XSGROHZPDNNDEK-OAHLLOKOSA-N. The full InChI is InChI=1S/C18H28N2O4S/c1-14(2)7-8-15(3)19-18(21)16-5-4-6-17(13-16)25(22,23)20-9-11-24-12-10-20/h4-6,13-15H,7-12H2,1-3H3,(H,19,21)/t15-/m1/s1.
What are the key properties of N-[(2R)-5-methylhexan-2-yl]-3-morpholin-4-ylsulfonylbenzamide?
N-[(2R)-5-methylhexan-2-yl]-3-morpholin-4-ylsulfonylbenzamide has a molecular weight of 368.50 g/mol, XLogP of 2.26, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2R)-5-methylhexan-2-yl]-3-morpholin-4-ylsulfonylbenzamide is sourced from PubChem (CID 7688948), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).