(2S)-N-[[5-(dimethylsulfamoyl)thiophen-2-yl]methyl]-2-(3-methylbutoxy)propanamide

C15H26N2O4S2 — CID 52519602

IUPAC(2S)-N-[[5-(dimethylsulfamoyl)thiophen-2-yl]methyl]-2-(3-methylbutoxy)propanamide
SMILESCC(C)CCO[C@@H](C)C(=O)NCc1ccc(S(=O)(=O)N(C)C)s1
InChIInChI=1S/C15H26N2O4S2/c1-11(2)8-9-21-12(3)15(18)16-10-13-6-7-14(22-13)23(19,20)17(4)5/h6-7,11-12H,8-10H2,1-5H3,(H,16,18)/t12-/m0/s1
InChIKeyCXUKNKITEYLWRW-LBPRGKRZSA-N
MW362.52 g/mol
LogP2.07
Rot. Bonds9

About (2S)-N-[[5-(dimethylsulfamoyl)thiophen-2-yl]methyl]-2-(3-methylbutoxy)propanamide

(2S)-N-[[5-(dimethylsulfamoyl)thiophen-2-yl]methyl]-2-(3-methylbutoxy)propanamide (PubChem CID 52519602) has the molecular formula C15H26N2O4S2 and a molecular weight of 362.52 g/mol. Its IUPAC name is (2S)-N-[[5-(dimethylsulfamoyl)thiophen-2-yl]methyl]-2-(3-methylbutoxy)propanamide.

Molecular Properties

Compound Name(2S)-N-[[5-(dimethylsulfamoyl)thiophen-2-yl]methyl]-2-(3-methylbutoxy)propanamide
PubChem CID52519602
Molecular FormulaC15H26N2O4S2
Molecular Weight362.52 g/mol
Exact Mass362.13
IUPAC Name(2S)-N-[[5-(dimethylsulfamoyl)thiophen-2-yl]methyl]-2-(3-methylbutoxy)propanamide
SMILESCC(C)CCO[C@@H](C)C(=O)NCc1ccc(S(=O)(=O)N(C)C)s1
InChIInChI=1S/C15H26N2O4S2/c1-11(2)8-9-21-12(3)15(18)16-10-13-6-7-14(22-13)23(19,20)17(4)5/h6-7,11-12H,8-10H2,1-5H3,(H,16,18)/t12-/m0/s1
InChIKeyCXUKNKITEYLWRW-LBPRGKRZSA-N
XLogP2.07
TPSA75.71 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds9
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500362.52
LogP ≤ 52.07
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

1-[[5-(dimethylsulfamoyl)thiophen-2-yl]methyl]-3-methylurea
CID 47132005
(2S)-2-(benzimidazol-1-yl)-N-[[5-(dimethylsulfamoyl)thiophen-2-yl]methyl]propanamide
CID 51941434
1-[[5-(dimethylsulfamoyl)thiophen-2-yl]methyl]-3-[(1S)-3-methyl-1-phenylbutyl]urea
CID 36520315
N-[[5-(dimethylsulfamoyl)thiophen-2-yl]methyl]thiophene-2-carboxamide
CID 33152535
1-[[5-(dimethylsulfamoyl)thiophen-2-yl]methyl]-3-(2-fluorophenyl)urea
CID 17445044
N-[[5-(dimethylsulfamoyl)thiophen-2-yl]methyl]-2-methoxybenzamide
CID 37017962
1-[1-(4-chlorophenyl)-2-methylpropyl]-3-[[5-(dimethylsulfamoyl)thiophen-2-yl]methyl]urea
CID 24612288
N-[[5-(dipropylsulfamoyl)thiophen-2-yl]methyl]acetamide
CID 30963365
5-[(4-methylpentanoylamino)methyl]thiophene-2-sulfonyl chloride
CID 43173395
N-[[5-[bis(2-methoxyethyl)sulfamoyl]thiophen-2-yl]methyl]acetamide
CID 55364957
N-[[5-(dimethylsulfamoyl)thiophen-2-yl]methyl]-2,4-dimethyl-1,3-thiazole-5-carboxamide
CID 53112482
(2S)-2-ethoxy-N-[(5-methylthiophen-2-yl)methyl]propanamide
CID 94824862

Frequently Asked Questions

What is the IUPAC name of (2S)-N-[[5-(dimethylsulfamoyl)thiophen-2-yl]methyl]-2-(3-methylbutoxy)propanamide?
The IUPAC name of (2S)-N-[[5-(dimethylsulfamoyl)thiophen-2-yl]methyl]-2-(3-methylbutoxy)propanamide (CID 52519602) is (2S)-N-[[5-(dimethylsulfamoyl)thiophen-2-yl]methyl]-2-(3-methylbutoxy)propanamide.
What is the SMILES notation for (2S)-N-[[5-(dimethylsulfamoyl)thiophen-2-yl]methyl]-2-(3-methylbutoxy)propanamide?
The canonical SMILES for (2S)-N-[[5-(dimethylsulfamoyl)thiophen-2-yl]methyl]-2-(3-methylbutoxy)propanamide is CC(C)CCO[C@@H](C)C(=O)NCc1ccc(S(=O)(=O)N(C)C)s1.
What is the InChIKey of (2S)-N-[[5-(dimethylsulfamoyl)thiophen-2-yl]methyl]-2-(3-methylbutoxy)propanamide?
The InChIKey is CXUKNKITEYLWRW-LBPRGKRZSA-N. The full InChI is InChI=1S/C15H26N2O4S2/c1-11(2)8-9-21-12(3)15(18)16-10-13-6-7-14(22-13)23(19,20)17(4)5/h6-7,11-12H,8-10H2,1-5H3,(H,16,18)/t12-/m0/s1.
What are the key properties of (2S)-N-[[5-(dimethylsulfamoyl)thiophen-2-yl]methyl]-2-(3-methylbutoxy)propanamide?
(2S)-N-[[5-(dimethylsulfamoyl)thiophen-2-yl]methyl]-2-(3-methylbutoxy)propanamide has a molecular weight of 362.52 g/mol, XLogP of 2.07, 9 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-N-[[5-(dimethylsulfamoyl)thiophen-2-yl]methyl]-2-(3-methylbutoxy)propanamide is sourced from PubChem (CID 52519602), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).