N-[4-[1-(1-thiophen-3-ylpropan-2-ylamino)pentan-3-yloxy]phenyl]methanesulfonamide

C19H28N2O3S2 — CID 57060861

IUPACN-[4-[1-(1-thiophen-3-ylpropan-2-ylamino)pentan-3-yloxy]phenyl]methanesulfonamide
SMILESCCC(CCNC(C)Cc1ccsc1)Oc1ccc(NS(C)(=O)=O)cc1
InChIInChI=1S/C19H28N2O3S2/c1-4-18(9-11-20-15(2)13-16-10-12-25-14-16)24-19-7-5-17(6-8-19)21-26(3,22)23/h5-8,10,12,14-15,18,20-21H,4,9,11,13H2,1-3H3
InChIKeyNMORUSKWIOXFGS-UHFFFAOYSA-N
MW396.58 g/mol
LogP3.89
Rot. Bonds11

About N-[4-[1-(1-thiophen-3-ylpropan-2-ylamino)pentan-3-yloxy]phenyl]methanesulfonamide

N-[4-[1-(1-thiophen-3-ylpropan-2-ylamino)pentan-3-yloxy]phenyl]methanesulfonamide (PubChem CID 57060861) has the molecular formula C19H28N2O3S2 and a molecular weight of 396.58 g/mol. Its IUPAC name is N-[4-[1-(1-thiophen-3-ylpropan-2-ylamino)pentan-3-yloxy]phenyl]methanesulfonamide.

Molecular Properties

Compound NameN-[4-[1-(1-thiophen-3-ylpropan-2-ylamino)pentan-3-yloxy]phenyl]methanesulfonamide
PubChem CID57060861
Molecular FormulaC19H28N2O3S2
Molecular Weight396.58 g/mol
Exact Mass396.15
IUPAC NameN-[4-[1-(1-thiophen-3-ylpropan-2-ylamino)pentan-3-yloxy]phenyl]methanesulfonamide
SMILESCCC(CCNC(C)Cc1ccsc1)Oc1ccc(NS(C)(=O)=O)cc1
InChIInChI=1S/C19H28N2O3S2/c1-4-18(9-11-20-15(2)13-16-10-12-25-14-16)24-19-7-5-17(6-8-19)21-26(3,22)23/h5-8,10,12,14-15,18,20-21H,4,9,11,13H2,1-3H3
InChIKeyNMORUSKWIOXFGS-UHFFFAOYSA-N
XLogP3.89
TPSA67.43 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds11
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500396.58
LogP ≤ 53.89
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

4-[1-(1-thiophen-3-ylpropan-2-ylamino)butan-2-yloxy]aniline
CID 57231919
N'-methyl-N'-propan-2-yl-N-(1-thiophen-3-ylpropan-2-yl)ethane-1,2-diamine
CID 115715971
N-[4-[6-(1-thiophen-3-ylpentan-2-ylamino)hexan-3-yl]phenyl]methanesulfonamide
CID 57020561
N-[2-(3-methylbutoxy)ethyl]-1-thiophen-3-ylpropan-2-amine
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N-(2-fluoroethyl)-1-thiophen-3-ylpropan-2-amine
CID 80694035
N-ethyl-1-[4-(thiophen-3-ylmethoxy)phenyl]propan-2-amine
CID 115494944
N-[(4-ethoxyphenyl)methyl]-1-thiophen-3-ylpropan-2-amine
CID 61223007
N-(4-methoxyphenyl)-2-(1-thiophen-3-ylpropan-2-ylamino)acetamide
CID 61473826
6-(1-thiophen-3-ylpropan-2-ylamino)hexan-1-ol
CID 115906776
3-methyl-N-(1-thiophen-3-ylpropan-2-yl)but-3-en-1-amine
CID 114472154
1-thiophen-3-yl-N-[3-(2,2,2-trifluoroethoxy)propyl]propan-2-amine
CID 54961663
(E)-N-(1-thiophen-3-ylpropan-2-yl)but-2-en-1-amine
CID 107898855

Frequently Asked Questions

What is the IUPAC name of N-[4-[1-(1-thiophen-3-ylpropan-2-ylamino)pentan-3-yloxy]phenyl]methanesulfonamide?
The IUPAC name of N-[4-[1-(1-thiophen-3-ylpropan-2-ylamino)pentan-3-yloxy]phenyl]methanesulfonamide (CID 57060861) is N-[4-[1-(1-thiophen-3-ylpropan-2-ylamino)pentan-3-yloxy]phenyl]methanesulfonamide.
What is the SMILES notation for N-[4-[1-(1-thiophen-3-ylpropan-2-ylamino)pentan-3-yloxy]phenyl]methanesulfonamide?
The canonical SMILES for N-[4-[1-(1-thiophen-3-ylpropan-2-ylamino)pentan-3-yloxy]phenyl]methanesulfonamide is CCC(CCNC(C)Cc1ccsc1)Oc1ccc(NS(C)(=O)=O)cc1.
What is the InChIKey of N-[4-[1-(1-thiophen-3-ylpropan-2-ylamino)pentan-3-yloxy]phenyl]methanesulfonamide?
The InChIKey is NMORUSKWIOXFGS-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H28N2O3S2/c1-4-18(9-11-20-15(2)13-16-10-12-25-14-16)24-19-7-5-17(6-8-19)21-26(3,22)23/h5-8,10,12,14-15,18,20-21H,4,9,11,13H2,1-3H3.
What are the key properties of N-[4-[1-(1-thiophen-3-ylpropan-2-ylamino)pentan-3-yloxy]phenyl]methanesulfonamide?
N-[4-[1-(1-thiophen-3-ylpropan-2-ylamino)pentan-3-yloxy]phenyl]methanesulfonamide has a molecular weight of 396.58 g/mol, XLogP of 3.89, 11 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-[1-(1-thiophen-3-ylpropan-2-ylamino)pentan-3-yloxy]phenyl]methanesulfonamide is sourced from PubChem (CID 57060861), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).