N-[(2S)-heptan-2-yl]-4-morpholin-4-ylsulfonylbenzamide

C18H28N2O4S — CID 7927777

IUPACN-[(2S)-heptan-2-yl]-4-morpholin-4-ylsulfonylbenzamide
SMILESCCCCC[C@H](C)NC(=O)c1ccc(S(=O)(=O)N2CCOCC2)cc1
InChIInChI=1S/C18H28N2O4S/c1-3-4-5-6-15(2)19-18(21)16-7-9-17(10-8-16)25(22,23)20-11-13-24-14-12-20/h7-10,15H,3-6,11-14H2,1-2H3,(H,19,21)/t15-/m0/s1
InChIKeyQNISSCUSKIIKQZ-HNNXBMFYSA-N
MW368.50 g/mol
LogP2.41
Rot. Bonds8

About N-[(2S)-heptan-2-yl]-4-morpholin-4-ylsulfonylbenzamide

N-[(2S)-heptan-2-yl]-4-morpholin-4-ylsulfonylbenzamide (PubChem CID 7927777) has the molecular formula C18H28N2O4S and a molecular weight of 368.50 g/mol. Its IUPAC name is N-[(2S)-heptan-2-yl]-4-morpholin-4-ylsulfonylbenzamide.

Molecular Properties

Compound NameN-[(2S)-heptan-2-yl]-4-morpholin-4-ylsulfonylbenzamide
PubChem CID7927777
Molecular FormulaC18H28N2O4S
Molecular Weight368.50 g/mol
Exact Mass368.18
IUPAC NameN-[(2S)-heptan-2-yl]-4-morpholin-4-ylsulfonylbenzamide
SMILESCCCCC[C@H](C)NC(=O)c1ccc(S(=O)(=O)N2CCOCC2)cc1
InChIInChI=1S/C18H28N2O4S/c1-3-4-5-6-15(2)19-18(21)16-7-9-17(10-8-16)25(22,23)20-11-13-24-14-12-20/h7-10,15H,3-6,11-14H2,1-2H3,(H,19,21)/t15-/m0/s1
InChIKeyQNISSCUSKIIKQZ-HNNXBMFYSA-N
XLogP2.41
TPSA75.71 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500368.50
LogP ≤ 52.41
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

4-morpholin-4-ylsulfonyl-N-nonylbenzamide
CID 46550002
N-hexyl-4-morpholin-4-ylsulfonylbenzamide
CID 26264686
N-[2-(butan-2-ylamino)-2-oxoethyl]-4-morpholin-4-ylsulfonylbenzamide
CID 112990790
N-[(2S)-butan-2-yl]-4-pyrrolidin-1-ylsulfonylbenzamide
CID 26532430
(2S)-4-methyl-2-[(4-morpholin-4-ylsulfonylbenzoyl)amino]pentanoic acid
CID 119361822
4-hexoxy-N'-(4-morpholin-4-ylsulfonylbenzoyl)benzohydrazide
CID 24677372
N-[(2R)-butan-2-yl]-2-[(4-morpholin-4-ylsulfonylbenzoyl)amino]benzamide
CID 26706280
N-butan-2-yl-3-morpholin-4-ylsulfonylbenzamide
CID 42906024
N-(4-morpholin-4-ylsulfonylphenyl)-4-(pentanoylamino)benzamide
CID 2211272
N-[1-(4-methylsulfonylphenyl)propyl]-4-morpholin-4-ylsulfonylbenzamide
CID 133189658
N-[(1R)-1-(furan-2-yl)ethyl]-4-morpholin-4-ylsulfonylbenzamide
CID 8856521
N-[(1S)-1-(furan-2-yl)ethyl]-4-morpholin-4-ylsulfonylbenzamide
CID 8856511

Frequently Asked Questions

What is the IUPAC name of N-[(2S)-heptan-2-yl]-4-morpholin-4-ylsulfonylbenzamide?
The IUPAC name of N-[(2S)-heptan-2-yl]-4-morpholin-4-ylsulfonylbenzamide (CID 7927777) is N-[(2S)-heptan-2-yl]-4-morpholin-4-ylsulfonylbenzamide.
What is the SMILES notation for N-[(2S)-heptan-2-yl]-4-morpholin-4-ylsulfonylbenzamide?
The canonical SMILES for N-[(2S)-heptan-2-yl]-4-morpholin-4-ylsulfonylbenzamide is CCCCC[C@H](C)NC(=O)c1ccc(S(=O)(=O)N2CCOCC2)cc1.
What is the InChIKey of N-[(2S)-heptan-2-yl]-4-morpholin-4-ylsulfonylbenzamide?
The InChIKey is QNISSCUSKIIKQZ-HNNXBMFYSA-N. The full InChI is InChI=1S/C18H28N2O4S/c1-3-4-5-6-15(2)19-18(21)16-7-9-17(10-8-16)25(22,23)20-11-13-24-14-12-20/h7-10,15H,3-6,11-14H2,1-2H3,(H,19,21)/t15-/m0/s1.
What are the key properties of N-[(2S)-heptan-2-yl]-4-morpholin-4-ylsulfonylbenzamide?
N-[(2S)-heptan-2-yl]-4-morpholin-4-ylsulfonylbenzamide has a molecular weight of 368.50 g/mol, XLogP of 2.41, 8 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2S)-heptan-2-yl]-4-morpholin-4-ylsulfonylbenzamide is sourced from PubChem (CID 7927777), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).