N-[(2S)-1-aminopropan-2-yl]-3-[5-(dimethylsulfamoyl)-1-methylbenzimidazol-2-yl]-N-methylpropanamide

C17H27N5O3S — CID 129414976

IUPACN-[(2S)-1-aminopropan-2-yl]-3-[5-(dimethylsulfamoyl)-1-methylbenzimidazol-2-yl]-N-methylpropanamide
SMILESC[C@@H](CN)N(C)C(=O)CCc1nc2cc(S(=O)(=O)N(C)C)ccc2n1C
InChIInChI=1S/C17H27N5O3S/c1-12(11-18)21(4)17(23)9-8-16-19-14-10-13(26(24,25)20(2)3)6-7-15(14)22(16)5/h6-7,10,12H,8-9,11,18H2,1-5H3/t12-/m0/s1
InChIKeyQGXVPTKSFQJHMZ-LBPRGKRZSA-N
MW381.50 g/mol
LogP0.56
Rot. Bonds7

About N-[(2S)-1-aminopropan-2-yl]-3-[5-(dimethylsulfamoyl)-1-methylbenzimidazol-2-yl]-N-methylpropanamide

N-[(2S)-1-aminopropan-2-yl]-3-[5-(dimethylsulfamoyl)-1-methylbenzimidazol-2-yl]-N-methylpropanamide (PubChem CID 129414976) has the molecular formula C17H27N5O3S and a molecular weight of 381.50 g/mol. Its IUPAC name is N-[(2S)-1-aminopropan-2-yl]-3-[5-(dimethylsulfamoyl)-1-methylbenzimidazol-2-yl]-N-methylpropanamide.

Molecular Properties

Compound NameN-[(2S)-1-aminopropan-2-yl]-3-[5-(dimethylsulfamoyl)-1-methylbenzimidazol-2-yl]-N-methylpropanamide
PubChem CID129414976
Molecular FormulaC17H27N5O3S
Molecular Weight381.50 g/mol
Exact Mass381.18
IUPAC NameN-[(2S)-1-aminopropan-2-yl]-3-[5-(dimethylsulfamoyl)-1-methylbenzimidazol-2-yl]-N-methylpropanamide
SMILESC[C@@H](CN)N(C)C(=O)CCc1nc2cc(S(=O)(=O)N(C)C)ccc2n1C
InChIInChI=1S/C17H27N5O3S/c1-12(11-18)21(4)17(23)9-8-16-19-14-10-13(26(24,25)20(2)3)6-7-15(14)22(16)5/h6-7,10,12H,8-9,11,18H2,1-5H3/t12-/m0/s1
InChIKeyQGXVPTKSFQJHMZ-LBPRGKRZSA-N
XLogP0.56
TPSA101.53 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500381.50
LogP ≤ 50.56
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

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N-cyclohexyl-3-[5-(dimethylsulfamoyl)-1-methylbenzimidazol-2-yl]-N-methylpropanamide
CID 46666978
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N-[(2S)-1-aminopropan-2-yl]-3-[5-(diethylsulfamoyl)-1-methylbenzimidazol-2-yl]propanamide;hydrochloride
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3-[5-(dimethylsulfamoyl)-1-ethylbenzimidazol-2-yl]-N,N-dimethylpropanamide
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Frequently Asked Questions

What is the IUPAC name of N-[(2S)-1-aminopropan-2-yl]-3-[5-(dimethylsulfamoyl)-1-methylbenzimidazol-2-yl]-N-methylpropanamide?
The IUPAC name of N-[(2S)-1-aminopropan-2-yl]-3-[5-(dimethylsulfamoyl)-1-methylbenzimidazol-2-yl]-N-methylpropanamide (CID 129414976) is N-[(2S)-1-aminopropan-2-yl]-3-[5-(dimethylsulfamoyl)-1-methylbenzimidazol-2-yl]-N-methylpropanamide.
What is the SMILES notation for N-[(2S)-1-aminopropan-2-yl]-3-[5-(dimethylsulfamoyl)-1-methylbenzimidazol-2-yl]-N-methylpropanamide?
The canonical SMILES for N-[(2S)-1-aminopropan-2-yl]-3-[5-(dimethylsulfamoyl)-1-methylbenzimidazol-2-yl]-N-methylpropanamide is C[C@@H](CN)N(C)C(=O)CCc1nc2cc(S(=O)(=O)N(C)C)ccc2n1C.
What is the InChIKey of N-[(2S)-1-aminopropan-2-yl]-3-[5-(dimethylsulfamoyl)-1-methylbenzimidazol-2-yl]-N-methylpropanamide?
The InChIKey is QGXVPTKSFQJHMZ-LBPRGKRZSA-N. The full InChI is InChI=1S/C17H27N5O3S/c1-12(11-18)21(4)17(23)9-8-16-19-14-10-13(26(24,25)20(2)3)6-7-15(14)22(16)5/h6-7,10,12H,8-9,11,18H2,1-5H3/t12-/m0/s1.
What are the key properties of N-[(2S)-1-aminopropan-2-yl]-3-[5-(dimethylsulfamoyl)-1-methylbenzimidazol-2-yl]-N-methylpropanamide?
N-[(2S)-1-aminopropan-2-yl]-3-[5-(dimethylsulfamoyl)-1-methylbenzimidazol-2-yl]-N-methylpropanamide has a molecular weight of 381.50 g/mol, XLogP of 0.56, 7 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2S)-1-aminopropan-2-yl]-3-[5-(dimethylsulfamoyl)-1-methylbenzimidazol-2-yl]-N-methylpropanamide is sourced from PubChem (CID 129414976), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).