N-(3-aminobutyl)-2-[(5-chlorothiophen-2-yl)sulfonylamino]acetamide

C10H16ClN3O3S2 — CID 119498376

IUPACN-(3-aminobutyl)-2-[(5-chlorothiophen-2-yl)sulfonylamino]acetamide
SMILESCC(N)CCNC(=O)CNS(=O)(=O)c1ccc(Cl)s1
InChIInChI=1S/C10H16ClN3O3S2/c1-7(12)4-5-13-9(15)6-14-19(16,17)10-3-2-8(11)18-10/h2-3,7,14H,4-6,12H2,1H3,(H,13,15)
InChIKeyZSYRJEPPYMABRZ-UHFFFAOYSA-N
MW325.84 g/mol
LogP0.53
Rot. Bonds7

About N-(3-aminobutyl)-2-[(5-chlorothiophen-2-yl)sulfonylamino]acetamide

N-(3-aminobutyl)-2-[(5-chlorothiophen-2-yl)sulfonylamino]acetamide (PubChem CID 119498376) has the molecular formula C10H16ClN3O3S2 and a molecular weight of 325.84 g/mol. Its IUPAC name is N-(3-aminobutyl)-2-[(5-chlorothiophen-2-yl)sulfonylamino]acetamide.

Molecular Properties

Compound NameN-(3-aminobutyl)-2-[(5-chlorothiophen-2-yl)sulfonylamino]acetamide
PubChem CID119498376
Molecular FormulaC10H16ClN3O3S2
Molecular Weight325.84 g/mol
Exact Mass325.03
IUPAC NameN-(3-aminobutyl)-2-[(5-chlorothiophen-2-yl)sulfonylamino]acetamide
SMILESCC(N)CCNC(=O)CNS(=O)(=O)c1ccc(Cl)s1
InChIInChI=1S/C10H16ClN3O3S2/c1-7(12)4-5-13-9(15)6-14-19(16,17)10-3-2-8(11)18-10/h2-3,7,14H,4-6,12H2,1H3,(H,13,15)
InChIKeyZSYRJEPPYMABRZ-UHFFFAOYSA-N
XLogP0.53
TPSA101.29 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500325.84
LogP ≤ 50.53
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Related Compounds

(2S)-2-[[2-[(5-chlorothiophen-2-yl)sulfonylamino]acetyl]amino]-3-methylbutanoic acid
CID 119359903
methyl 2-[[2-[(5-chlorothiophen-2-yl)sulfonylamino]acetyl]amino]-4-methylpentanoate
CID 3513146
N-(3-methylbutyl)-2-[(2-methylphenyl)sulfonylamino]acetamide
CID 112995226
5-chloro-N-[2-(2-hydroxyethyl)pentyl]thiophene-2-sulfonamide
CID 103836355
2-[(5-chlorothiophen-2-yl)sulfonylamino]-N-(4-methoxyphenyl)acetamide
CID 112998754
3-[(5-chlorothiophen-2-yl)sulfonylamino]-2-hydroxypropanamide
CID 107258327
N-[2-[(5-chlorothiophen-2-yl)sulfonylamino]ethyl]-N-(3-methylbutyl)acetamide
CID 113056910
N-(3-aminobutyl)-3-[(2,6-dichlorophenyl)sulfonylamino]propanamide
CID 119498614
2-amino-N-(5-chlorothiophen-2-yl)sulfonylacetamide
CID 68844992
N-(5-chlorothiophen-2-yl)sulfonyl-2-methylpropanamide
CID 47108883
N-[2-(aminomethyl)cyclopentyl]-2-[(5-chlorothiophen-2-yl)sulfonylamino]acetamide;hydrochloride
CID 119604012
2-[(5-chlorothiophen-2-yl)sulfonylamino]-N-(3-fluorophenyl)acetamide
CID 113000478

Frequently Asked Questions

What is the IUPAC name of N-(3-aminobutyl)-2-[(5-chlorothiophen-2-yl)sulfonylamino]acetamide?
The IUPAC name of N-(3-aminobutyl)-2-[(5-chlorothiophen-2-yl)sulfonylamino]acetamide (CID 119498376) is N-(3-aminobutyl)-2-[(5-chlorothiophen-2-yl)sulfonylamino]acetamide.
What is the SMILES notation for N-(3-aminobutyl)-2-[(5-chlorothiophen-2-yl)sulfonylamino]acetamide?
The canonical SMILES for N-(3-aminobutyl)-2-[(5-chlorothiophen-2-yl)sulfonylamino]acetamide is CC(N)CCNC(=O)CNS(=O)(=O)c1ccc(Cl)s1.
What is the InChIKey of N-(3-aminobutyl)-2-[(5-chlorothiophen-2-yl)sulfonylamino]acetamide?
The InChIKey is ZSYRJEPPYMABRZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H16ClN3O3S2/c1-7(12)4-5-13-9(15)6-14-19(16,17)10-3-2-8(11)18-10/h2-3,7,14H,4-6,12H2,1H3,(H,13,15).
What are the key properties of N-(3-aminobutyl)-2-[(5-chlorothiophen-2-yl)sulfonylamino]acetamide?
N-(3-aminobutyl)-2-[(5-chlorothiophen-2-yl)sulfonylamino]acetamide has a molecular weight of 325.84 g/mol, XLogP of 0.53, 7 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-aminobutyl)-2-[(5-chlorothiophen-2-yl)sulfonylamino]acetamide is sourced from PubChem (CID 119498376), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).