N-butan-2-yl-2-[3-[1-(ethylamino)ethyl]phenyl]sulfanylpropanamide

C17H28N2OS — CID 64665498

IUPACN-butan-2-yl-2-[3-[1-(ethylamino)ethyl]phenyl]sulfanylpropanamide
SMILESCCNC(C)c1cccc(SC(C)C(=O)NC(C)CC)c1
InChIInChI=1S/C17H28N2OS/c1-6-12(3)19-17(20)14(5)21-16-10-8-9-15(11-16)13(4)18-7-2/h8-14,18H,6-7H2,1-5H3,(H,19,20)
InChIKeyDEAKNAQCHJFXHW-UHFFFAOYSA-N
MW308.49 g/mol
LogP3.75
Rot. Bonds8

About N-butan-2-yl-2-[3-[1-(ethylamino)ethyl]phenyl]sulfanylpropanamide

N-butan-2-yl-2-[3-[1-(ethylamino)ethyl]phenyl]sulfanylpropanamide (PubChem CID 64665498) has the molecular formula C17H28N2OS and a molecular weight of 308.49 g/mol. Its IUPAC name is N-butan-2-yl-2-[3-[1-(ethylamino)ethyl]phenyl]sulfanylpropanamide.

Molecular Properties

Compound NameN-butan-2-yl-2-[3-[1-(ethylamino)ethyl]phenyl]sulfanylpropanamide
PubChem CID64665498
Molecular FormulaC17H28N2OS
Molecular Weight308.49 g/mol
Exact Mass308.19
IUPAC NameN-butan-2-yl-2-[3-[1-(ethylamino)ethyl]phenyl]sulfanylpropanamide
SMILESCCNC(C)c1cccc(SC(C)C(=O)NC(C)CC)c1
InChIInChI=1S/C17H28N2OS/c1-6-12(3)19-17(20)14(5)21-16-10-8-9-15(11-16)13(4)18-7-2/h8-14,18H,6-7H2,1-5H3,(H,19,20)
InChIKeyDEAKNAQCHJFXHW-UHFFFAOYSA-N
XLogP3.75
TPSA41.13 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500308.49
LogP ≤ 53.75
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2-[3-[1-(methylamino)ethyl]phenyl]sulfanyl-N-pentan-2-ylpropanamide
CID 64663351
N-butan-2-yl-2-[3-(hydroxymethyl)phenyl]sulfanylpropanamide
CID 66348555
N-ethyl-1-[3-(2-phenylsulfanylethylsulfanyl)phenyl]ethanamine
CID 79205935
4-[3-[1-(ethylamino)ethyl]phenyl]sulfanyl-N-methylbutanamide
CID 64663796
6-[3-[1-(ethylamino)ethyl]phenyl]sulfanylhexan-1-ol
CID 107707219
5-[3-[1-(ethylamino)ethyl]phenyl]sulfanylpentan-1-ol
CID 64665070
N-[3-[1-(ethylamino)ethyl]phenyl]-2-methylbutanamide
CID 43507836
1-[3-(2-bromoprop-2-enylsulfanyl)phenyl]-N-ethylethanamine
CID 64663802
N-butan-2-yl-3-[1-(ethylamino)ethyl]aniline
CID 79677847
N-[3-[1-(ethylamino)ethyl]phenyl]-2-methylpropanamide
CID 43507815
1-(3-cyclohexylsulfanylphenyl)-N-ethylethanamine
CID 64666325
4-[3-[1-(ethylamino)ethyl]phenyl]sulfanyl-1,1-dioxothiolan-3-ol
CID 64666334

Frequently Asked Questions

What is the IUPAC name of N-butan-2-yl-2-[3-[1-(ethylamino)ethyl]phenyl]sulfanylpropanamide?
The IUPAC name of N-butan-2-yl-2-[3-[1-(ethylamino)ethyl]phenyl]sulfanylpropanamide (CID 64665498) is N-butan-2-yl-2-[3-[1-(ethylamino)ethyl]phenyl]sulfanylpropanamide.
What is the SMILES notation for N-butan-2-yl-2-[3-[1-(ethylamino)ethyl]phenyl]sulfanylpropanamide?
The canonical SMILES for N-butan-2-yl-2-[3-[1-(ethylamino)ethyl]phenyl]sulfanylpropanamide is CCNC(C)c1cccc(SC(C)C(=O)NC(C)CC)c1.
What is the InChIKey of N-butan-2-yl-2-[3-[1-(ethylamino)ethyl]phenyl]sulfanylpropanamide?
The InChIKey is DEAKNAQCHJFXHW-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H28N2OS/c1-6-12(3)19-17(20)14(5)21-16-10-8-9-15(11-16)13(4)18-7-2/h8-14,18H,6-7H2,1-5H3,(H,19,20).
What are the key properties of N-butan-2-yl-2-[3-[1-(ethylamino)ethyl]phenyl]sulfanylpropanamide?
N-butan-2-yl-2-[3-[1-(ethylamino)ethyl]phenyl]sulfanylpropanamide has a molecular weight of 308.49 g/mol, XLogP of 3.75, 8 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-butan-2-yl-2-[3-[1-(ethylamino)ethyl]phenyl]sulfanylpropanamide is sourced from PubChem (CID 64665498), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).