N-[2-(2-methylpropanoylamino)ethyl]-4-[methyl(thiophen-2-ylsulfonyl)amino]butanamide

C15H25N3O4S2 — CID 24666466

IUPACN-[2-(2-methylpropanoylamino)ethyl]-4-[methyl(thiophen-2-ylsulfonyl)amino]butanamide
SMILESCC(C)C(=O)NCCNC(=O)CCCN(C)S(=O)(=O)c1cccs1
InChIInChI=1S/C15H25N3O4S2/c1-12(2)15(20)17-9-8-16-13(19)6-4-10-18(3)24(21,22)14-7-5-11-23-14/h5,7,11-12H,4,6,8-10H2,1-3H3,(H,16,19)(H,17,20)
InChIKeyFZCMYZAHQGFHQN-UHFFFAOYSA-N
MW375.52 g/mol
LogP1.04
Rot. Bonds10

About N-[2-(2-methylpropanoylamino)ethyl]-4-[methyl(thiophen-2-ylsulfonyl)amino]butanamide

N-[2-(2-methylpropanoylamino)ethyl]-4-[methyl(thiophen-2-ylsulfonyl)amino]butanamide (PubChem CID 24666466) has the molecular formula C15H25N3O4S2 and a molecular weight of 375.52 g/mol. Its IUPAC name is N-[2-(2-methylpropanoylamino)ethyl]-4-[methyl(thiophen-2-ylsulfonyl)amino]butanamide.

Molecular Properties

Compound NameN-[2-(2-methylpropanoylamino)ethyl]-4-[methyl(thiophen-2-ylsulfonyl)amino]butanamide
PubChem CID24666466
Molecular FormulaC15H25N3O4S2
Molecular Weight375.52 g/mol
Exact Mass375.13
IUPAC NameN-[2-(2-methylpropanoylamino)ethyl]-4-[methyl(thiophen-2-ylsulfonyl)amino]butanamide
SMILESCC(C)C(=O)NCCNC(=O)CCCN(C)S(=O)(=O)c1cccs1
InChIInChI=1S/C15H25N3O4S2/c1-12(2)15(20)17-9-8-16-13(19)6-4-10-18(3)24(21,22)14-7-5-11-23-14/h5,7,11-12H,4,6,8-10H2,1-3H3,(H,16,19)(H,17,20)
InChIKeyFZCMYZAHQGFHQN-UHFFFAOYSA-N
XLogP1.04
TPSA95.58 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds10
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500375.52
LogP ≤ 51.04
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

4-[methyl(thiophen-2-ylsulfonyl)amino]-N-(pyridin-4-ylmethyl)butanamide
CID 18136265
N-[2-(2,3-dimethylanilino)-2-oxoethyl]-4-[methyl(thiophen-2-ylsulfonyl)amino]butanamide
CID 24681923
N-[2-(2-methylpropyl)pyrazol-3-yl]-4-[methyl(thiophen-2-ylsulfonyl)amino]butanamide
CID 134011784
N-[(4-fluoro-3-methylphenyl)methyl]-4-[methyl(thiophen-2-ylsulfonyl)amino]butanamide
CID 18138818
N-[1-(3,4-dichlorophenyl)ethyl]-4-[methyl(thiophen-2-ylsulfonyl)amino]butanamide
CID 24596037
4-[methyl(thiophen-2-ylsulfonyl)amino]-N-(oxolan-2-ylmethyl)butanamide
CID 18160350
N-(1-adamantyl)-4-[methyl(thiophen-2-ylsulfonyl)amino]butanamide
CID 17440887
N-[(4-methylphenyl)-phenylmethyl]-4-[methyl(thiophen-2-ylsulfonyl)amino]butanamide
CID 24596245
N-[1-(1-benzofuran-2-yl)ethyl]-4-[methyl(thiophen-2-ylsulfonyl)amino]butanamide
CID 42930432
5-[[2-[methyl(thiophen-2-ylsulfonyl)amino]acetyl]amino]pentanoic acid
CID 62032128
4-[methyl(thiophen-2-ylsulfonyl)amino]-N-[2-(trifluoromethylsulfanyl)phenyl]butanamide
CID 167766558
N-butyl-N-methylthiophene-2-sulfonamide
CID 4992196

Frequently Asked Questions

What is the IUPAC name of N-[2-(2-methylpropanoylamino)ethyl]-4-[methyl(thiophen-2-ylsulfonyl)amino]butanamide?
The IUPAC name of N-[2-(2-methylpropanoylamino)ethyl]-4-[methyl(thiophen-2-ylsulfonyl)amino]butanamide (CID 24666466) is N-[2-(2-methylpropanoylamino)ethyl]-4-[methyl(thiophen-2-ylsulfonyl)amino]butanamide.
What is the SMILES notation for N-[2-(2-methylpropanoylamino)ethyl]-4-[methyl(thiophen-2-ylsulfonyl)amino]butanamide?
The canonical SMILES for N-[2-(2-methylpropanoylamino)ethyl]-4-[methyl(thiophen-2-ylsulfonyl)amino]butanamide is CC(C)C(=O)NCCNC(=O)CCCN(C)S(=O)(=O)c1cccs1.
What is the InChIKey of N-[2-(2-methylpropanoylamino)ethyl]-4-[methyl(thiophen-2-ylsulfonyl)amino]butanamide?
The InChIKey is FZCMYZAHQGFHQN-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H25N3O4S2/c1-12(2)15(20)17-9-8-16-13(19)6-4-10-18(3)24(21,22)14-7-5-11-23-14/h5,7,11-12H,4,6,8-10H2,1-3H3,(H,16,19)(H,17,20).
What are the key properties of N-[2-(2-methylpropanoylamino)ethyl]-4-[methyl(thiophen-2-ylsulfonyl)amino]butanamide?
N-[2-(2-methylpropanoylamino)ethyl]-4-[methyl(thiophen-2-ylsulfonyl)amino]butanamide has a molecular weight of 375.52 g/mol, XLogP of 1.04, 10 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(2-methylpropanoylamino)ethyl]-4-[methyl(thiophen-2-ylsulfonyl)amino]butanamide is sourced from PubChem (CID 24666466), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).