3-methyl-N-[1-(5-sulfamoylthiophen-2-yl)ethyl]pentanamide

C12H20N2O3S2 — CID 114875220

IUPAC3-methyl-N-[1-(5-sulfamoylthiophen-2-yl)ethyl]pentanamide
SMILESCCC(C)CC(=O)NC(C)c1ccc(S(N)(=O)=O)s1
InChIInChI=1S/C12H20N2O3S2/c1-4-8(2)7-11(15)14-9(3)10-5-6-12(18-10)19(13,16)17/h5-6,8-9H,4,7H2,1-3H3,(H,14,15)(H2,13,16,17)
InChIKeyISKVAKUDMSYYQP-UHFFFAOYSA-N
MW304.44 g/mol
LogP2.01
Rot. Bonds6

About 3-methyl-N-[1-(5-sulfamoylthiophen-2-yl)ethyl]pentanamide

3-methyl-N-[1-(5-sulfamoylthiophen-2-yl)ethyl]pentanamide (PubChem CID 114875220) has the molecular formula C12H20N2O3S2 and a molecular weight of 304.44 g/mol. Its IUPAC name is 3-methyl-N-[1-(5-sulfamoylthiophen-2-yl)ethyl]pentanamide.

Molecular Properties

Compound Name3-methyl-N-[1-(5-sulfamoylthiophen-2-yl)ethyl]pentanamide
PubChem CID114875220
Molecular FormulaC12H20N2O3S2
Molecular Weight304.44 g/mol
Exact Mass304.09
IUPAC Name3-methyl-N-[1-(5-sulfamoylthiophen-2-yl)ethyl]pentanamide
SMILESCCC(C)CC(=O)NC(C)c1ccc(S(N)(=O)=O)s1
InChIInChI=1S/C12H20N2O3S2/c1-4-8(2)7-11(15)14-9(3)10-5-6-12(18-10)19(13,16)17/h5-6,8-9H,4,7H2,1-3H3,(H,14,15)(H2,13,16,17)
InChIKeyISKVAKUDMSYYQP-UHFFFAOYSA-N
XLogP2.01
TPSA89.26 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500304.44
LogP ≤ 52.01
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-(thien-2-ylmethyl)-4-{[(thien-2-ylsulfonyl)amino]methyl}cyclohexanecarboxamide
CID 3237775
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CID 3243911
N-[(4-methylphenyl)methyl]-4-[(thiophene-2-sulfonamido)methyl]cyclohexane-1-carboxamide
CID 5322912
N-benzyl-4-[(thiophen-2-ylsulfonylamino)methyl]cyclohexane-1-carboxamide
CID 5322919
N~1~-benzyl-N~1~-methyl-N~2~-(thien-2-ylsulfonyl)valinamide
CID 6619218
4-Diethylsulfamoyl-thiophene-2-carboxylic acid cyclohexylamide
CID 655038
N-cycloheptyl-2-(5-pyrrolidin-1-ylsulfonylthiophen-2-yl)acetamide
CID 2084509
N-tert-butyl-2-(5-pyrrolidin-1-ylsulfonylthiophen-2-yl)acetamide
CID 2566033
1-(ethylsulfonyl)-N-(thien-2-ylmethyl)piperidine-4-carboxamide
CID 3241452
N~1~-(thien-2-ylmethyl)-N~2~-(thien-2-ylsulfonyl)methioninamide
CID 3244465
N-[(4-Methylphenyl)methyl]-4-(methylsulfanyl)-2-(thiophene-2-sulfonamido)butanamide
CID 9551096
N-benzyl-3-[(2-thienylsulfonyl)amino]propanamide
CID 9551483

Frequently Asked Questions

What is the IUPAC name of 3-methyl-N-[1-(5-sulfamoylthiophen-2-yl)ethyl]pentanamide?
The IUPAC name of 3-methyl-N-[1-(5-sulfamoylthiophen-2-yl)ethyl]pentanamide (CID 114875220) is 3-methyl-N-[1-(5-sulfamoylthiophen-2-yl)ethyl]pentanamide.
What is the SMILES notation for 3-methyl-N-[1-(5-sulfamoylthiophen-2-yl)ethyl]pentanamide?
The canonical SMILES for 3-methyl-N-[1-(5-sulfamoylthiophen-2-yl)ethyl]pentanamide is CCC(C)CC(=O)NC(C)c1ccc(S(N)(=O)=O)s1.
What is the InChIKey of 3-methyl-N-[1-(5-sulfamoylthiophen-2-yl)ethyl]pentanamide?
The InChIKey is ISKVAKUDMSYYQP-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H20N2O3S2/c1-4-8(2)7-11(15)14-9(3)10-5-6-12(18-10)19(13,16)17/h5-6,8-9H,4,7H2,1-3H3,(H,14,15)(H2,13,16,17).
What are the key properties of 3-methyl-N-[1-(5-sulfamoylthiophen-2-yl)ethyl]pentanamide?
3-methyl-N-[1-(5-sulfamoylthiophen-2-yl)ethyl]pentanamide has a molecular weight of 304.44 g/mol, XLogP of 2.01, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methyl-N-[1-(5-sulfamoylthiophen-2-yl)ethyl]pentanamide is sourced from PubChem (CID 114875220), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).