(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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Related Compounds

2-[(4-amino-3-bromophenyl)sulfonylamino]-N,N-diethylpropanamide
CID 115597824
2-[(3,4-dimethoxyphenyl)sulfonylamino]-N,N-diethylpropanamide
CID 3970526
2-(1-benzothiophen-5-ylamino)propanoic acid
CID 65475467
4-[[1-(diethylamino)-1-oxopropan-2-yl]sulfamoyl]thiophene-2-carboxylic acid
CID 61073022
2-[(4-bromophenyl)sulfonylamino]-N,N-dipropylpropanamide
CID 50740584
(2S)-2-(benzenesulfonamido)-N,N-dibenzylpropanamide
CID 41330771
N-(1-benzothiophen-5-yl)-4-ethylbenzenesulfonamide
CID 55476960
N-(1-benzothiophen-5-yl)-4-(4-methylphenyl)sulfonylbutanamide
CID 18585815
(2S)-2-(1-benzofuran-5-ylsulfonylamino)-N,N,N'-tris(2-methylpropyl)-N'-(1,3-thiazol-5-ylmethyl)pentanediamide
CID 155119611
[2-[bis(2-methylpropyl)amino]-2-oxoethyl] (2S)-2-(benzenesulfonamido)propanoate
CID 55927975
N-(4-methylpentyl)-1-benzothiophen-5-amine
CID 83156262
5-[[[methyl(propan-2-yl)sulfamoyl]amino]methyl]-1-benzothiophene
CID 131900878

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).