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

C15H23N3O3S2 — CID 94649725

IUPACN-[(2R)-2-cyanopropyl]-N-ethyl-4-[methyl(thiophen-2-ylsulfonyl)amino]butanamide
SMILESCCN(C[C@@H](C)C#N)C(=O)CCCN(C)S(=O)(=O)c1cccs1
InChIInChI=1S/C15H23N3O3S2/c1-4-18(12-13(2)11-16)14(19)7-5-9-17(3)23(20,21)15-8-6-10-22-15/h6,8,10,13H,4-5,7,9,12H2,1-3H3/t13-/m0/s1
InChIKeyMPPAZHCILQUZOA-ZDUSSCGKSA-N
MW357.50 g/mol
LogP2.16
Rot. Bonds9

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

N-[(2R)-2-cyanopropyl]-N-ethyl-4-[methyl(thiophen-2-ylsulfonyl)amino]butanamide (PubChem CID 94649725) has the molecular formula C15H23N3O3S2 and a molecular weight of 357.50 g/mol. Its IUPAC name is N-[(2R)-2-cyanopropyl]-N-ethyl-4-[methyl(thiophen-2-ylsulfonyl)amino]butanamide.

Molecular Properties

Compound NameN-[(2R)-2-cyanopropyl]-N-ethyl-4-[methyl(thiophen-2-ylsulfonyl)amino]butanamide
PubChem CID94649725
Molecular FormulaC15H23N3O3S2
Molecular Weight357.50 g/mol
Exact Mass357.12
IUPAC NameN-[(2R)-2-cyanopropyl]-N-ethyl-4-[methyl(thiophen-2-ylsulfonyl)amino]butanamide
SMILESCCN(C[C@@H](C)C#N)C(=O)CCCN(C)S(=O)(=O)c1cccs1
InChIInChI=1S/C15H23N3O3S2/c1-4-18(12-13(2)11-16)14(19)7-5-9-17(3)23(20,21)15-8-6-10-22-15/h6,8,10,13H,4-5,7,9,12H2,1-3H3/t13-/m0/s1
InChIKeyMPPAZHCILQUZOA-ZDUSSCGKSA-N
XLogP2.16
TPSA81.48 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds9
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500357.50
LogP ≤ 52.16
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

N-(2-cyanopropyl)-N-ethyl-4-thiophen-2-ylbutanamide
CID 54979623
N-butyl-N-methylthiophene-2-sulfonamide
CID 4992196
N-[2-(2-methylpropanoylamino)ethyl]-4-[methyl(thiophen-2-ylsulfonyl)amino]butanamide
CID 24666466
4-amino-N-(2-cyanopropyl)-N-ethylbutanamide
CID 60962664
N-methyl-N-[(5-methylfuran-2-yl)methyl]-4-[methyl(thiophen-2-ylsulfonyl)amino]butanamide
CID 24639156
N-ethyl-N-methylthiophene-2-sulfonamide;hydrochloride
CID 130616398
N-[(2R)-2-cyanopropyl]-N-ethyl-3-(4-fluorophenyl)propanamide
CID 94822045
N,N-bis(2-methoxyethyl)-2-[methyl(thiophen-2-ylsulfonyl)amino]acetamide
CID 55327809
7-amino-N-(2-cyanopropyl)-N-ethylheptanamide
CID 54873246
N-[2-(2-methylpropyl)pyrazol-3-yl]-4-[methyl(thiophen-2-ylsulfonyl)amino]butanamide
CID 134011784
N-(2-chloropropyl)-N-methylthiophene-2-sulfonamide
CID 63397170
N-(2-hydroxyethyl)-2-[methyl(thiophen-2-ylsulfonyl)amino]-N-propan-2-ylacetamide
CID 43573487

Frequently Asked Questions

What is the IUPAC name of N-[(2R)-2-cyanopropyl]-N-ethyl-4-[methyl(thiophen-2-ylsulfonyl)amino]butanamide?
The IUPAC name of N-[(2R)-2-cyanopropyl]-N-ethyl-4-[methyl(thiophen-2-ylsulfonyl)amino]butanamide (CID 94649725) is N-[(2R)-2-cyanopropyl]-N-ethyl-4-[methyl(thiophen-2-ylsulfonyl)amino]butanamide.
What is the SMILES notation for N-[(2R)-2-cyanopropyl]-N-ethyl-4-[methyl(thiophen-2-ylsulfonyl)amino]butanamide?
The canonical SMILES for N-[(2R)-2-cyanopropyl]-N-ethyl-4-[methyl(thiophen-2-ylsulfonyl)amino]butanamide is CCN(C[C@@H](C)C#N)C(=O)CCCN(C)S(=O)(=O)c1cccs1.
What is the InChIKey of N-[(2R)-2-cyanopropyl]-N-ethyl-4-[methyl(thiophen-2-ylsulfonyl)amino]butanamide?
The InChIKey is MPPAZHCILQUZOA-ZDUSSCGKSA-N. The full InChI is InChI=1S/C15H23N3O3S2/c1-4-18(12-13(2)11-16)14(19)7-5-9-17(3)23(20,21)15-8-6-10-22-15/h6,8,10,13H,4-5,7,9,12H2,1-3H3/t13-/m0/s1.
What are the key properties of N-[(2R)-2-cyanopropyl]-N-ethyl-4-[methyl(thiophen-2-ylsulfonyl)amino]butanamide?
N-[(2R)-2-cyanopropyl]-N-ethyl-4-[methyl(thiophen-2-ylsulfonyl)amino]butanamide has a molecular weight of 357.50 g/mol, XLogP of 2.16, 9 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2R)-2-cyanopropyl]-N-ethyl-4-[methyl(thiophen-2-ylsulfonyl)amino]butanamide is sourced from PubChem (CID 94649725), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).