(2S)-2-(1-benzothiophen-5-ylsulfonylamino)-N,N-bis(2-methylpropyl)propanamide

C19H28N2O3S2 — CID 145147428

IUPAC(2S)-2-(1-benzothiophen-5-ylsulfonylamino)-N,N-bis(2-methylpropyl)propanamide
SMILESCC(C)CN(CC(C)C)C(=O)[C@H](C)NS(=O)(=O)c1ccc2sccc2c1
InChIInChI=1S/C19H28N2O3S2/c1-13(2)11-21(12-14(3)4)19(22)15(5)20-26(23,24)17-6-7-18-16(10-17)8-9-25-18/h6-10,13-15,20H,11-12H2,1-5H3/t15-/m0/s1
InChIKeyMQNJVMSGSHBXPT-HNNXBMFYSA-N
MW396.58 g/mol
LogP3.71
Rot. Bonds8

About (2S)-2-(1-benzothiophen-5-ylsulfonylamino)-N,N-bis(2-methylpropyl)propanamide

(2S)-2-(1-benzothiophen-5-ylsulfonylamino)-N,N-bis(2-methylpropyl)propanamide (PubChem CID 145147428) has the molecular formula C19H28N2O3S2 and a molecular weight of 396.58 g/mol. Its IUPAC name is (2S)-2-(1-benzothiophen-5-ylsulfonylamino)-N,N-bis(2-methylpropyl)propanamide.

Molecular Properties

Compound Name(2S)-2-(1-benzothiophen-5-ylsulfonylamino)-N,N-bis(2-methylpropyl)propanamide
PubChem CID145147428
Molecular FormulaC19H28N2O3S2
Molecular Weight396.58 g/mol
Exact Mass396.15
IUPAC Name(2S)-2-(1-benzothiophen-5-ylsulfonylamino)-N,N-bis(2-methylpropyl)propanamide
SMILESCC(C)CN(CC(C)C)C(=O)[C@H](C)NS(=O)(=O)c1ccc2sccc2c1
InChIInChI=1S/C19H28N2O3S2/c1-13(2)11-21(12-14(3)4)19(22)15(5)20-26(23,24)17-6-7-18-16(10-17)8-9-25-18/h6-10,13-15,20H,11-12H2,1-5H3/t15-/m0/s1
InChIKeyMQNJVMSGSHBXPT-HNNXBMFYSA-N
XLogP3.71
TPSA66.48 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500396.58
LogP ≤ 53.71
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of (2S)-2-(1-benzothiophen-5-ylsulfonylamino)-N,N-bis(2-methylpropyl)propanamide?
The IUPAC name of (2S)-2-(1-benzothiophen-5-ylsulfonylamino)-N,N-bis(2-methylpropyl)propanamide (CID 145147428) is (2S)-2-(1-benzothiophen-5-ylsulfonylamino)-N,N-bis(2-methylpropyl)propanamide.
What is the SMILES notation for (2S)-2-(1-benzothiophen-5-ylsulfonylamino)-N,N-bis(2-methylpropyl)propanamide?
The canonical SMILES for (2S)-2-(1-benzothiophen-5-ylsulfonylamino)-N,N-bis(2-methylpropyl)propanamide is CC(C)CN(CC(C)C)C(=O)[C@H](C)NS(=O)(=O)c1ccc2sccc2c1.
What is the InChIKey of (2S)-2-(1-benzothiophen-5-ylsulfonylamino)-N,N-bis(2-methylpropyl)propanamide?
The InChIKey is MQNJVMSGSHBXPT-HNNXBMFYSA-N. The full InChI is InChI=1S/C19H28N2O3S2/c1-13(2)11-21(12-14(3)4)19(22)15(5)20-26(23,24)17-6-7-18-16(10-17)8-9-25-18/h6-10,13-15,20H,11-12H2,1-5H3/t15-/m0/s1.
What are the key properties of (2S)-2-(1-benzothiophen-5-ylsulfonylamino)-N,N-bis(2-methylpropyl)propanamide?
(2S)-2-(1-benzothiophen-5-ylsulfonylamino)-N,N-bis(2-methylpropyl)propanamide has a molecular weight of 396.58 g/mol, XLogP of 3.71, 8 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-(1-benzothiophen-5-ylsulfonylamino)-N,N-bis(2-methylpropyl)propanamide is sourced from PubChem (CID 145147428), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).