N-[4-[ethyl(propan-2-yl)amino]phenyl]-2-[[5-(pyrrolidine-1-carbonyl)-2-pyridinyl]sulfanyl]acetamide

C23H30N4O2S — CID 25343449

IUPACN-[4-[ethyl(propan-2-yl)amino]phenyl]-2-[[5-(pyrrolidine-1-carbonyl)-2-pyridinyl]sulfanyl]acetamide
SMILESCCN(c1ccc(NC(=O)CSc2ccc(C(=O)N3CCCC3)cn2)cc1)C(C)C
InChIInChI=1S/C23H30N4O2S/c1-4-27(17(2)3)20-10-8-19(9-11-20)25-21(28)16-30-22-12-7-18(15-24-22)23(29)26-13-5-6-14-26/h7-12,15,17H,4-6,13-14,16H2,1-3H3,(H,25,28)
InChIKeyQSQUDLCLKOGESB-UHFFFAOYSA-N
MW426.59 g/mol
LogP4.28
Rot. Bonds8

About N-[4-[ethyl(propan-2-yl)amino]phenyl]-2-[[5-(pyrrolidine-1-carbonyl)-2-pyridinyl]sulfanyl]acetamide

N-[4-[ethyl(propan-2-yl)amino]phenyl]-2-[[5-(pyrrolidine-1-carbonyl)-2-pyridinyl]sulfanyl]acetamide (PubChem CID 25343449) has the molecular formula C23H30N4O2S and a molecular weight of 426.59 g/mol. Its IUPAC name is N-[4-[ethyl(propan-2-yl)amino]phenyl]-2-[[5-(pyrrolidine-1-carbonyl)-2-pyridinyl]sulfanyl]acetamide.

Molecular Properties

Compound NameN-[4-[ethyl(propan-2-yl)amino]phenyl]-2-[[5-(pyrrolidine-1-carbonyl)-2-pyridinyl]sulfanyl]acetamide
PubChem CID25343449
Molecular FormulaC23H30N4O2S
Molecular Weight426.59 g/mol
Exact Mass426.21
IUPAC NameN-[4-[ethyl(propan-2-yl)amino]phenyl]-2-[[5-(pyrrolidine-1-carbonyl)-2-pyridinyl]sulfanyl]acetamide
SMILESCCN(c1ccc(NC(=O)CSc2ccc(C(=O)N3CCCC3)cn2)cc1)C(C)C
InChIInChI=1S/C23H30N4O2S/c1-4-27(17(2)3)20-10-8-19(9-11-20)25-21(28)16-30-22-12-7-18(15-24-22)23(29)26-13-5-6-14-26/h7-12,15,17H,4-6,13-14,16H2,1-3H3,(H,25,28)
InChIKeyQSQUDLCLKOGESB-UHFFFAOYSA-N
XLogP4.28
TPSA65.54 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500426.59
LogP ≤ 54.28
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-(4-hydroxyphenyl)-2-[[5-(pyrrolidine-1-carbonyl)-2-pyridinyl]sulfanyl]acetamide
CID 71898976
N-[4-[(2S)-2-[[5-(pyrrolidine-1-carbonyl)-2-pyridinyl]sulfanyl]propanoyl]phenyl]butanamide
CID 51935162
N-[2-(difluoromethylsulfanyl)phenyl]-2-[[5-(pyrrolidine-1-carbonyl)-2-pyridinyl]sulfanyl]acetamide
CID 55534910
N-[4-[ethyl(propan-2-yl)amino]phenyl]-2-(1-methylimidazol-2-yl)sulfanylacetamide
CID 3370830
N-[4-[ethyl(propan-2-yl)amino]phenyl]-2-[(11-methyl-12-oxo-7-thia-9,11-diazatricyclo[6.4.0.02,6]dodeca-1(8),2(6),9-trien-10-yl)sulfanyl]acetamide
CID 40907865
N-[4-[ethyl(propan-2-yl)amino]phenyl]-2-(2-oxopiperidin-1-yl)acetamide
CID 78866546
6-[2-(4-fluoroanilino)-2-oxoethyl]sulfanylpyridine-3-carboxylic acid
CID 46262434
[2-[4-[ethyl(propan-2-yl)amino]anilino]-2-oxoethyl] 6-methylpyridine-3-carboxylate
CID 46519873
2,2-dimethyl-N-[4-[2-[[5-(pyrrolidine-1-carbonyl)-2-pyridinyl]sulfanyl]propanoyl]phenyl]propanamide
CID 55578497
[2-[4-(diethylamino)anilino]pyrimidin-5-yl]-pyrrolidin-1-ylmethanone
CID 109249349
N-[4-[ethyl(propan-2-yl)amino]phenyl]-2-[1-(2-methylpropyl)tetrazol-5-yl]sulfanylacetamide
CID 55462827
N-[4-[ethyl(propan-2-yl)amino]phenyl]-2-(propan-2-ylamino)acetamide
CID 60641040

Frequently Asked Questions

What is the IUPAC name of N-[4-[ethyl(propan-2-yl)amino]phenyl]-2-[[5-(pyrrolidine-1-carbonyl)-2-pyridinyl]sulfanyl]acetamide?
The IUPAC name of N-[4-[ethyl(propan-2-yl)amino]phenyl]-2-[[5-(pyrrolidine-1-carbonyl)-2-pyridinyl]sulfanyl]acetamide (CID 25343449) is N-[4-[ethyl(propan-2-yl)amino]phenyl]-2-[[5-(pyrrolidine-1-carbonyl)-2-pyridinyl]sulfanyl]acetamide.
What is the SMILES notation for N-[4-[ethyl(propan-2-yl)amino]phenyl]-2-[[5-(pyrrolidine-1-carbonyl)-2-pyridinyl]sulfanyl]acetamide?
The canonical SMILES for N-[4-[ethyl(propan-2-yl)amino]phenyl]-2-[[5-(pyrrolidine-1-carbonyl)-2-pyridinyl]sulfanyl]acetamide is CCN(c1ccc(NC(=O)CSc2ccc(C(=O)N3CCCC3)cn2)cc1)C(C)C.
What is the InChIKey of N-[4-[ethyl(propan-2-yl)amino]phenyl]-2-[[5-(pyrrolidine-1-carbonyl)-2-pyridinyl]sulfanyl]acetamide?
The InChIKey is QSQUDLCLKOGESB-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H30N4O2S/c1-4-27(17(2)3)20-10-8-19(9-11-20)25-21(28)16-30-22-12-7-18(15-24-22)23(29)26-13-5-6-14-26/h7-12,15,17H,4-6,13-14,16H2,1-3H3,(H,25,28).
What are the key properties of N-[4-[ethyl(propan-2-yl)amino]phenyl]-2-[[5-(pyrrolidine-1-carbonyl)-2-pyridinyl]sulfanyl]acetamide?
N-[4-[ethyl(propan-2-yl)amino]phenyl]-2-[[5-(pyrrolidine-1-carbonyl)-2-pyridinyl]sulfanyl]acetamide has a molecular weight of 426.59 g/mol, XLogP of 4.28, 8 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-[ethyl(propan-2-yl)amino]phenyl]-2-[[5-(pyrrolidine-1-carbonyl)-2-pyridinyl]sulfanyl]acetamide is sourced from PubChem (CID 25343449), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).