tert-butyl 5-[3-[3-(1H-indol-3-yl)propyl-methylsulfonylamino]propyl]thiophene-2-carboxylate

C24H32N2O4S2 — CID 54124659

IUPACtert-butyl 5-[3-[3-(1H-indol-3-yl)propyl-methylsulfonylamino]propyl]thiophene-2-carboxylate
SMILESCC(C)(C)OC(=O)c1ccc(CCCN(CCCc2c[nH]c3ccccc23)S(C)(=O)=O)s1
InChIInChI=1S/C24H32N2O4S2/c1-24(2,3)30-23(27)22-14-13-19(31-22)10-8-16-26(32(4,28)29)15-7-9-18-17-25-21-12-6-5-11-20(18)21/h5-6,11-14,17,25H,7-10,15-16H2,1-4H3
InChIKeyNQCKIZYVSAPHEG-UHFFFAOYSA-N
MW476.66 g/mol
LogP5.01
Rot. Bonds10

About tert-butyl 5-[3-[3-(1H-indol-3-yl)propyl-methylsulfonylamino]propyl]thiophene-2-carboxylate

tert-butyl 5-[3-[3-(1H-indol-3-yl)propyl-methylsulfonylamino]propyl]thiophene-2-carboxylate (PubChem CID 54124659) has the molecular formula C24H32N2O4S2 and a molecular weight of 476.66 g/mol. Its IUPAC name is tert-butyl 5-[3-[3-(1H-indol-3-yl)propyl-methylsulfonylamino]propyl]thiophene-2-carboxylate.

Molecular Properties

Compound Nametert-butyl 5-[3-[3-(1H-indol-3-yl)propyl-methylsulfonylamino]propyl]thiophene-2-carboxylate
PubChem CID54124659
Molecular FormulaC24H32N2O4S2
Molecular Weight476.66 g/mol
Exact Mass476.18
IUPAC Nametert-butyl 5-[3-[3-(1H-indol-3-yl)propyl-methylsulfonylamino]propyl]thiophene-2-carboxylate
SMILESCC(C)(C)OC(=O)c1ccc(CCCN(CCCc2c[nH]c3ccccc23)S(C)(=O)=O)s1
InChIInChI=1S/C24H32N2O4S2/c1-24(2,3)30-23(27)22-14-13-19(31-22)10-8-16-26(32(4,28)29)15-7-9-18-17-25-21-12-6-5-11-20(18)21/h5-6,11-14,17,25H,7-10,15-16H2,1-4H3
InChIKeyNQCKIZYVSAPHEG-UHFFFAOYSA-N
XLogP5.01
TPSA79.47 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds10
Heavy Atoms32
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500476.66
LogP ≤ 55.01
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze tert-butyl 5-[3-[3-(1H-indol-3-yl)propyl-methylsulfonylamino]propyl]thiophene-2-carboxylate with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-[3-(1H-indol-3-yl)propyl]-N-[4-(methylamino)butyl]methanesulfonamide
CID 147377568
N-tert-butyl-3-[2-(1H-indol-3-yl)ethyl-methylsulfonylamino]propanamide
CID 113140591
2-[2-(1H-indol-3-yl)ethyl-[(2-methylpropan-2-yl)oxycarbonyl]amino]acetic acid
CID 122388919
2-ethyl-N-[2-[2-(1H-indol-3-yl)ethyl-methylsulfonylamino]ethyl]butanamide
CID 113067812
tert-butyl 5-(3-oxopropyl)thiophene-2-carboxylate
CID 54099193
2-[2-(1H-indol-3-yl)ethyl-methylsulfonylamino]-N-(2-methoxyethyl)acetamide
CID 113152453
3-[4-(1H-indol-3-yl)butyl]-1H-indole
CID 57060044
tert-butyl 5-(5-methoxypent-4-enyl)thiophene-2-carboxylate
CID 54489794
dimethyl 2-[3-(1H-indol-3-yl)propyl]-2-iodopropanedioate
CID 146165215
tert-butyl 2-cyano-4-(1H-indol-3-yl)butanoate
CID 25135384
3-(4,4-dimethylpentyl)-1H-indole
CID 58756842
N-[2-(1H-indol-3-yl)ethyl]acetohydrazide
CID 141443100

Frequently Asked Questions

What is the IUPAC name of tert-butyl 5-[3-[3-(1H-indol-3-yl)propyl-methylsulfonylamino]propyl]thiophene-2-carboxylate?
The IUPAC name of tert-butyl 5-[3-[3-(1H-indol-3-yl)propyl-methylsulfonylamino]propyl]thiophene-2-carboxylate (CID 54124659) is tert-butyl 5-[3-[3-(1H-indol-3-yl)propyl-methylsulfonylamino]propyl]thiophene-2-carboxylate.
What is the SMILES notation for tert-butyl 5-[3-[3-(1H-indol-3-yl)propyl-methylsulfonylamino]propyl]thiophene-2-carboxylate?
The canonical SMILES for tert-butyl 5-[3-[3-(1H-indol-3-yl)propyl-methylsulfonylamino]propyl]thiophene-2-carboxylate is CC(C)(C)OC(=O)c1ccc(CCCN(CCCc2c[nH]c3ccccc23)S(C)(=O)=O)s1.
What is the InChIKey of tert-butyl 5-[3-[3-(1H-indol-3-yl)propyl-methylsulfonylamino]propyl]thiophene-2-carboxylate?
The InChIKey is NQCKIZYVSAPHEG-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H32N2O4S2/c1-24(2,3)30-23(27)22-14-13-19(31-22)10-8-16-26(32(4,28)29)15-7-9-18-17-25-21-12-6-5-11-20(18)21/h5-6,11-14,17,25H,7-10,15-16H2,1-4H3.
What are the key properties of tert-butyl 5-[3-[3-(1H-indol-3-yl)propyl-methylsulfonylamino]propyl]thiophene-2-carboxylate?
tert-butyl 5-[3-[3-(1H-indol-3-yl)propyl-methylsulfonylamino]propyl]thiophene-2-carboxylate has a molecular weight of 476.66 g/mol, XLogP of 5.01, 10 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl 5-[3-[3-(1H-indol-3-yl)propyl-methylsulfonylamino]propyl]thiophene-2-carboxylate is sourced from PubChem (CID 54124659), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).