(2S)-2-[benzenesulfonyl(ethenyl)amino]-N,N-bis(thiophen-2-ylmethyl)hexanamide

C24H28N2O3S3 — CID 152783987

IUPAC(2S)-2-[benzenesulfonyl(ethenyl)amino]-N,N-bis(thiophen-2-ylmethyl)hexanamide
SMILESC=CN([C@@H](CCCC)C(=O)N(Cc1cccs1)Cc1cccs1)S(=O)(=O)c1ccccc1
InChIInChI=1S/C24H28N2O3S3/c1-3-5-15-23(26(4-2)32(28,29)22-13-7-6-8-14-22)24(27)25(18-20-11-9-16-30-20)19-21-12-10-17-31-21/h4,6-14,16-17,23H,2-3,5,15,18-19H2,1H3/t23-/m0/s1
InChIKeyRUJKSTNIVBCSEC-QHCPKHFHSA-N
MW488.70 g/mol
LogP5.73
Rot. Bonds12

About (2S)-2-[benzenesulfonyl(ethenyl)amino]-N,N-bis(thiophen-2-ylmethyl)hexanamide

(2S)-2-[benzenesulfonyl(ethenyl)amino]-N,N-bis(thiophen-2-ylmethyl)hexanamide (PubChem CID 152783987) has the molecular formula C24H28N2O3S3 and a molecular weight of 488.70 g/mol. Its IUPAC name is (2S)-2-[benzenesulfonyl(ethenyl)amino]-N,N-bis(thiophen-2-ylmethyl)hexanamide.

Molecular Properties

Compound Name(2S)-2-[benzenesulfonyl(ethenyl)amino]-N,N-bis(thiophen-2-ylmethyl)hexanamide
PubChem CID152783987
Molecular FormulaC24H28N2O3S3
Molecular Weight488.70 g/mol
Exact Mass488.13
IUPAC Name(2S)-2-[benzenesulfonyl(ethenyl)amino]-N,N-bis(thiophen-2-ylmethyl)hexanamide
SMILESC=CN([C@@H](CCCC)C(=O)N(Cc1cccs1)Cc1cccs1)S(=O)(=O)c1ccccc1
InChIInChI=1S/C24H28N2O3S3/c1-3-5-15-23(26(4-2)32(28,29)22-13-7-6-8-14-22)24(27)25(18-20-11-9-16-30-20)19-21-12-10-17-31-21/h4,6-14,16-17,23H,2-3,5,15,18-19H2,1H3/t23-/m0/s1
InChIKeyRUJKSTNIVBCSEC-QHCPKHFHSA-N
XLogP5.73
TPSA57.69 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds12
Heavy Atoms32
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500488.70
LogP ≤ 55.73
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze (2S)-2-[benzenesulfonyl(ethenyl)amino]-N,N-bis(thiophen-2-ylmethyl)hexanamide 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

[6-(benzylsulfonylamino)-1-[bis(thiophen-2-ylmethyl)amino]-1-oxohexan-2-yl]-tert-butylcarbamic acid
CID 175290773
N-benzyl-2-[butyl-(4-methylphenyl)sulfonylamino]-N-(thiophen-2-ylmethyl)acetamide
CID 4562295
N-benzyl-2-[butyl-(4-fluorophenyl)sulfonylamino]-N-(thiophen-2-ylmethyl)acetamide
CID 3913407
2-(methylcarbamoylamino)-N,N-bis(thiophen-2-ylmethyl)hexanamide
CID 76534196
[1-[bis(thiophen-2-ylmethyl)amino]-1-oxo-6-(trifluoromethylsulfonylamino)hexan-2-yl]-tert-butylcarbamic acid
CID 175377998
4-(diethylsulfamoyl)-N-prop-2-enyl-N-(thiophen-2-ylmethyl)benzamide
CID 78801560
(2S)-2-amino-N,N-bis(thiophen-2-ylmethyl)butanamide;hydrochloride
CID 119271767
bis(thiophen-2-ylmethyl)carbamoylsulfanyl-[(2S)-hexan-2-yl]carbamic acid
CID 87946200
3-[[(2S)-1-[bis(thiophen-2-ylmethyl)amino]-1-oxohexan-2-yl]carbamoylamino]butanoic acid
CID 118620773
methyl 2-[ethyl(thiophen-2-ylmethyl)amino]hexanoate
CID 112547960
N-benzyl-2-[(4-methoxyphenyl)sulfonyl-prop-2-enylamino]-N-(thiophen-2-ylmethyl)acetamide
CID 3649754
[[(2S)-1-[bis(thiophen-2-ylmethyl)amino]-1-oxohexan-2-yl]carbamoylamino] (2R)-2-phenylpropanoate
CID 175290759

Frequently Asked Questions

What is the IUPAC name of (2S)-2-[benzenesulfonyl(ethenyl)amino]-N,N-bis(thiophen-2-ylmethyl)hexanamide?
The IUPAC name of (2S)-2-[benzenesulfonyl(ethenyl)amino]-N,N-bis(thiophen-2-ylmethyl)hexanamide (CID 152783987) is (2S)-2-[benzenesulfonyl(ethenyl)amino]-N,N-bis(thiophen-2-ylmethyl)hexanamide.
What is the SMILES notation for (2S)-2-[benzenesulfonyl(ethenyl)amino]-N,N-bis(thiophen-2-ylmethyl)hexanamide?
The canonical SMILES for (2S)-2-[benzenesulfonyl(ethenyl)amino]-N,N-bis(thiophen-2-ylmethyl)hexanamide is C=CN([C@@H](CCCC)C(=O)N(Cc1cccs1)Cc1cccs1)S(=O)(=O)c1ccccc1.
What is the InChIKey of (2S)-2-[benzenesulfonyl(ethenyl)amino]-N,N-bis(thiophen-2-ylmethyl)hexanamide?
The InChIKey is RUJKSTNIVBCSEC-QHCPKHFHSA-N. The full InChI is InChI=1S/C24H28N2O3S3/c1-3-5-15-23(26(4-2)32(28,29)22-13-7-6-8-14-22)24(27)25(18-20-11-9-16-30-20)19-21-12-10-17-31-21/h4,6-14,16-17,23H,2-3,5,15,18-19H2,1H3/t23-/m0/s1.
What are the key properties of (2S)-2-[benzenesulfonyl(ethenyl)amino]-N,N-bis(thiophen-2-ylmethyl)hexanamide?
(2S)-2-[benzenesulfonyl(ethenyl)amino]-N,N-bis(thiophen-2-ylmethyl)hexanamide has a molecular weight of 488.70 g/mol, XLogP of 5.73, 12 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-[benzenesulfonyl(ethenyl)amino]-N,N-bis(thiophen-2-ylmethyl)hexanamide is sourced from PubChem (CID 152783987), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).