N-butan-2-yl-3-(4-chloro-N-methylsulfonylanilino)propanamide

C14H21ClN2O3S — CID 113143863

IUPACN-butan-2-yl-3-(4-chloro-N-methylsulfonylanilino)propanamide
SMILESCCC(C)NC(=O)CCN(c1ccc(Cl)cc1)S(C)(=O)=O
InChIInChI=1S/C14H21ClN2O3S/c1-4-11(2)16-14(18)9-10-17(21(3,19)20)13-7-5-12(15)6-8-13/h5-8,11H,4,9-10H2,1-3H3,(H,16,18)
InChIKeyKEVGHIILMFEDSG-UHFFFAOYSA-N
MW332.85 g/mol
LogP2.41
Rot. Bonds7

About N-butan-2-yl-3-(4-chloro-N-methylsulfonylanilino)propanamide

N-butan-2-yl-3-(4-chloro-N-methylsulfonylanilino)propanamide (PubChem CID 113143863) has the molecular formula C14H21ClN2O3S and a molecular weight of 332.85 g/mol. Its IUPAC name is N-butan-2-yl-3-(4-chloro-N-methylsulfonylanilino)propanamide.

Molecular Properties

Compound NameN-butan-2-yl-3-(4-chloro-N-methylsulfonylanilino)propanamide
PubChem CID113143863
Molecular FormulaC14H21ClN2O3S
Molecular Weight332.85 g/mol
Exact Mass332.10
IUPAC NameN-butan-2-yl-3-(4-chloro-N-methylsulfonylanilino)propanamide
SMILESCCC(C)NC(=O)CCN(c1ccc(Cl)cc1)S(C)(=O)=O
InChIInChI=1S/C14H21ClN2O3S/c1-4-11(2)16-14(18)9-10-17(21(3,19)20)13-7-5-12(15)6-8-13/h5-8,11H,4,9-10H2,1-3H3,(H,16,18)
InChIKeyKEVGHIILMFEDSG-UHFFFAOYSA-N
XLogP2.41
TPSA66.48 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500332.85
LogP ≤ 52.41
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-butan-2-yl-2-(4-chloro-N-methylsulfonylanilino)acetamide
CID 3138299
N-butan-2-yl-3-(N-methylsulfonyl-4-phenoxyanilino)propanamide
CID 113145878
3-(4-bromo-3-methyl-N-methylsulfonylanilino)-N-butan-2-ylpropanamide
CID 113146090
N-tert-butyl-3-(4-chloro-N-methylsulfonylanilino)propanamide
CID 113143904
(2R)-N-[(2S)-butan-2-yl]-2-(4-chloro-N-methylsulfonylanilino)propanamide
CID 42587370
N-butan-2-yl-3-[N-methylsulfonyl-3-(trifluoromethyl)anilino]propanamide
CID 113145244
N-butan-2-yl-3-(2,4,6-trimethyl-N-methylsulfonylanilino)propanamide
CID 113143125
3-(4-chloro-N-methylsulfonylanilino)-N-[2-(dimethylamino)ethyl]propanamide
CID 113143874
3-(4-chloro-N-methylsulfonylanilino)-N-(4-ethylphenyl)propanamide
CID 113143927
3-(3-chloro-4-methyl-N-methylsulfonylanilino)-N-propan-2-ylpropanamide
CID 113144169
N-butan-2-yl-3-(2,4-dimethoxy-N-methylsulfonylanilino)propanamide
CID 113145132
N-butan-2-yl-2-(4-methyl-N-methylsulfonylanilino)acetamide
CID 3800769

Frequently Asked Questions

What is the IUPAC name of N-butan-2-yl-3-(4-chloro-N-methylsulfonylanilino)propanamide?
The IUPAC name of N-butan-2-yl-3-(4-chloro-N-methylsulfonylanilino)propanamide (CID 113143863) is N-butan-2-yl-3-(4-chloro-N-methylsulfonylanilino)propanamide.
What is the SMILES notation for N-butan-2-yl-3-(4-chloro-N-methylsulfonylanilino)propanamide?
The canonical SMILES for N-butan-2-yl-3-(4-chloro-N-methylsulfonylanilino)propanamide is CCC(C)NC(=O)CCN(c1ccc(Cl)cc1)S(C)(=O)=O.
What is the InChIKey of N-butan-2-yl-3-(4-chloro-N-methylsulfonylanilino)propanamide?
The InChIKey is KEVGHIILMFEDSG-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21ClN2O3S/c1-4-11(2)16-14(18)9-10-17(21(3,19)20)13-7-5-12(15)6-8-13/h5-8,11H,4,9-10H2,1-3H3,(H,16,18).
What are the key properties of N-butan-2-yl-3-(4-chloro-N-methylsulfonylanilino)propanamide?
N-butan-2-yl-3-(4-chloro-N-methylsulfonylanilino)propanamide has a molecular weight of 332.85 g/mol, XLogP of 2.41, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-butan-2-yl-3-(4-chloro-N-methylsulfonylanilino)propanamide is sourced from PubChem (CID 113143863), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).