N-[2-[ethyl(heptyl)amino]ethyl]-4-(methanesulfonamido)benzamide

C19H33N3O3S — CID 14773551

IUPACN-[2-[ethyl(heptyl)amino]ethyl]-4-(methanesulfonamido)benzamide
SMILESCCCCCCCN(CC)CCNC(=O)c1ccc(NS(C)(=O)=O)cc1
InChIInChI=1S/C19H33N3O3S/c1-4-6-7-8-9-15-22(5-2)16-14-20-19(23)17-10-12-18(13-11-17)21-26(3,24)25/h10-13,21H,4-9,14-16H2,1-3H3,(H,20,23)
InChIKeyHKQNNQLMYOSZDH-UHFFFAOYSA-N
MW383.56 g/mol
LogP3.08
Rot. Bonds13

About N-[2-[ethyl(heptyl)amino]ethyl]-4-(methanesulfonamido)benzamide

N-[2-[ethyl(heptyl)amino]ethyl]-4-(methanesulfonamido)benzamide (PubChem CID 14773551) has the molecular formula C19H33N3O3S and a molecular weight of 383.56 g/mol. Its IUPAC name is N-[2-[ethyl(heptyl)amino]ethyl]-4-(methanesulfonamido)benzamide.

Molecular Properties

Compound NameN-[2-[ethyl(heptyl)amino]ethyl]-4-(methanesulfonamido)benzamide
PubChem CID14773551
Molecular FormulaC19H33N3O3S
Molecular Weight383.56 g/mol
Exact Mass383.22
IUPAC NameN-[2-[ethyl(heptyl)amino]ethyl]-4-(methanesulfonamido)benzamide
SMILESCCCCCCCN(CC)CCNC(=O)c1ccc(NS(C)(=O)=O)cc1
InChIInChI=1S/C19H33N3O3S/c1-4-6-7-8-9-15-22(5-2)16-14-20-19(23)17-10-12-18(13-11-17)21-26(3,24)25/h10-13,21H,4-9,14-16H2,1-3H3,(H,20,23)
InChIKeyHKQNNQLMYOSZDH-UHFFFAOYSA-N
XLogP3.08
TPSA78.51 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds13
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500383.56
LogP ≤ 53.08
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of N-[2-[ethyl(heptyl)amino]ethyl]-4-(methanesulfonamido)benzamide?
The IUPAC name of N-[2-[ethyl(heptyl)amino]ethyl]-4-(methanesulfonamido)benzamide (CID 14773551) is N-[2-[ethyl(heptyl)amino]ethyl]-4-(methanesulfonamido)benzamide.
What is the SMILES notation for N-[2-[ethyl(heptyl)amino]ethyl]-4-(methanesulfonamido)benzamide?
The canonical SMILES for N-[2-[ethyl(heptyl)amino]ethyl]-4-(methanesulfonamido)benzamide is CCCCCCCN(CC)CCNC(=O)c1ccc(NS(C)(=O)=O)cc1.
What is the InChIKey of N-[2-[ethyl(heptyl)amino]ethyl]-4-(methanesulfonamido)benzamide?
The InChIKey is HKQNNQLMYOSZDH-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H33N3O3S/c1-4-6-7-8-9-15-22(5-2)16-14-20-19(23)17-10-12-18(13-11-17)21-26(3,24)25/h10-13,21H,4-9,14-16H2,1-3H3,(H,20,23).
What are the key properties of N-[2-[ethyl(heptyl)amino]ethyl]-4-(methanesulfonamido)benzamide?
N-[2-[ethyl(heptyl)amino]ethyl]-4-(methanesulfonamido)benzamide has a molecular weight of 383.56 g/mol, XLogP of 3.08, 13 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[ethyl(heptyl)amino]ethyl]-4-(methanesulfonamido)benzamide is sourced from PubChem (CID 14773551), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).