N-[(3S)-1-(7H-pyrrolo[2,3-d]pyrimidin-4-yl)piperidin-3-yl]-2-(3-sulfamoylanilino)acetamide

C19H23N7O3S — CID 124564707

IUPACN-[(3S)-1-(7H-pyrrolo[2,3-d]pyrimidin-4-yl)piperidin-3-yl]-2-(3-sulfamoylanilino)acetamide
SMILESNS(=O)(=O)c1cccc(NCC(=O)N[C@H]2CCCN(c3ncnc4[nH]ccc34)C2)c1
InChIInChI=1S/C19H23N7O3S/c20-30(28,29)15-5-1-3-13(9-15)22-10-17(27)25-14-4-2-8-26(11-14)19-16-6-7-21-18(16)23-12-24-19/h1,3,5-7,9,12,14,22H,2,4,8,10-11H2,(H,25,27)(H2,20,28,29)(H,21,23,24)/t14-/m0/s1
InChIKeyPPTLIDUPEYDSOX-AWEZNQCLSA-N
MW429.51 g/mol
LogP0.80
Rot. Bonds6

About N-[(3S)-1-(7H-pyrrolo[2,3-d]pyrimidin-4-yl)piperidin-3-yl]-2-(3-sulfamoylanilino)acetamide

N-[(3S)-1-(7H-pyrrolo[2,3-d]pyrimidin-4-yl)piperidin-3-yl]-2-(3-sulfamoylanilino)acetamide (PubChem CID 124564707) has the molecular formula C19H23N7O3S and a molecular weight of 429.51 g/mol. Its IUPAC name is N-[(3S)-1-(7H-pyrrolo[2,3-d]pyrimidin-4-yl)piperidin-3-yl]-2-(3-sulfamoylanilino)acetamide.

Molecular Properties

Compound NameN-[(3S)-1-(7H-pyrrolo[2,3-d]pyrimidin-4-yl)piperidin-3-yl]-2-(3-sulfamoylanilino)acetamide
PubChem CID124564707
Molecular FormulaC19H23N7O3S
Molecular Weight429.51 g/mol
Exact Mass429.16
IUPAC NameN-[(3S)-1-(7H-pyrrolo[2,3-d]pyrimidin-4-yl)piperidin-3-yl]-2-(3-sulfamoylanilino)acetamide
SMILESNS(=O)(=O)c1cccc(NCC(=O)N[C@H]2CCCN(c3ncnc4[nH]ccc34)C2)c1
InChIInChI=1S/C19H23N7O3S/c20-30(28,29)15-5-1-3-13(9-15)22-10-17(27)25-14-4-2-8-26(11-14)19-16-6-7-21-18(16)23-12-24-19/h1,3,5-7,9,12,14,22H,2,4,8,10-11H2,(H,25,27)(H2,20,28,29)(H,21,23,24)/t14-/m0/s1
InChIKeyPPTLIDUPEYDSOX-AWEZNQCLSA-N
XLogP0.80
TPSA146.10 Ų
H-Bond Donors4
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500429.51
LogP ≤ 50.80
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 107

Analyze N-[(3S)-1-(7H-pyrrolo[2,3-d]pyrimidin-4-yl)piperidin-3-yl]-2-(3-sulfamoylanilino)acetamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-[(3S)-1-(7H-pyrrolo[2,3-d]pyrimidin-4-yl)piperidin-3-yl]-2-[3-(trifluoromethyl)anilino]acetamide
CID 124564664
2-(3,5-difluoroanilino)-N-[1-(7H-pyrrolo[2,3-d]pyrimidin-4-yl)piperidin-3-yl]acetamide
CID 51001507
2-(3-chloro-5-fluoroanilino)-N-[(3S)-1-(7H-pyrrolo[2,3-d]pyrimidin-4-yl)piperidin-3-yl]acetamide
CID 124564697
2-(2,3-dichloroanilino)-N-[1-(7H-pyrrolo[2,3-d]pyrimidin-4-yl)piperidin-3-yl]acetamide
CID 51000928
2-(2-chloroanilino)-N-[(3S)-1-(7H-pyrrolo[2,3-d]pyrimidin-4-yl)piperidin-3-yl]acetamide
CID 124564702
2-(7-azabicyclo[4.2.0]octa-1(8),2,4,6-tetraen-2-ylamino)-N-[1-(7H-pyrrolo[2,3-d]pyrimidin-4-yl)piperidin-3-yl]acetamide
CID 123895017
2-(5-chloro-2-fluoroanilino)-N-[1-(7H-pyrrolo[2,3-d]pyrimidin-4-yl)piperidin-3-yl]acetamide
CID 51001249
2-[2-fluoro-5-(trifluoromethyl)anilino]-N-[1-(7H-pyrrolo[2,3-d]pyrimidin-4-yl)piperidin-3-yl]acetamide
CID 51001508
2-[(2,2-difluoro-1,3-benzodioxol-4-yl)amino]-N-[(3R)-1-(7H-pyrrolo[2,3-d]pyrimidin-4-yl)piperidin-3-yl]acetamide
CID 124564746
1-(3-tert-butylanilino)-3-[(3S)-1-(7H-pyrrolo[2,3-d]pyrimidin-4-yl)piperidin-3-yl]propan-2-one
CID 159412102
(2R,3S)-2-anilino-3-hydroxy-N-[1-(7H-pyrrolo[2,3-d]pyrimidin-4-yl)piperidin-3-yl]butanamide
CID 67067008
1-[3-(piperidin-1-ylmethyl)anilino]-3-[1-(7H-pyrrolo[2,3-d]pyrimidin-4-yl)piperidin-3-yl]propan-2-one
CID 162266423

Frequently Asked Questions

What is the IUPAC name of N-[(3S)-1-(7H-pyrrolo[2,3-d]pyrimidin-4-yl)piperidin-3-yl]-2-(3-sulfamoylanilino)acetamide?
The IUPAC name of N-[(3S)-1-(7H-pyrrolo[2,3-d]pyrimidin-4-yl)piperidin-3-yl]-2-(3-sulfamoylanilino)acetamide (CID 124564707) is N-[(3S)-1-(7H-pyrrolo[2,3-d]pyrimidin-4-yl)piperidin-3-yl]-2-(3-sulfamoylanilino)acetamide.
What is the SMILES notation for N-[(3S)-1-(7H-pyrrolo[2,3-d]pyrimidin-4-yl)piperidin-3-yl]-2-(3-sulfamoylanilino)acetamide?
The canonical SMILES for N-[(3S)-1-(7H-pyrrolo[2,3-d]pyrimidin-4-yl)piperidin-3-yl]-2-(3-sulfamoylanilino)acetamide is NS(=O)(=O)c1cccc(NCC(=O)N[C@H]2CCCN(c3ncnc4[nH]ccc34)C2)c1.
What is the InChIKey of N-[(3S)-1-(7H-pyrrolo[2,3-d]pyrimidin-4-yl)piperidin-3-yl]-2-(3-sulfamoylanilino)acetamide?
The InChIKey is PPTLIDUPEYDSOX-AWEZNQCLSA-N. The full InChI is InChI=1S/C19H23N7O3S/c20-30(28,29)15-5-1-3-13(9-15)22-10-17(27)25-14-4-2-8-26(11-14)19-16-6-7-21-18(16)23-12-24-19/h1,3,5-7,9,12,14,22H,2,4,8,10-11H2,(H,25,27)(H2,20,28,29)(H,21,23,24)/t14-/m0/s1.
What are the key properties of N-[(3S)-1-(7H-pyrrolo[2,3-d]pyrimidin-4-yl)piperidin-3-yl]-2-(3-sulfamoylanilino)acetamide?
N-[(3S)-1-(7H-pyrrolo[2,3-d]pyrimidin-4-yl)piperidin-3-yl]-2-(3-sulfamoylanilino)acetamide has a molecular weight of 429.51 g/mol, XLogP of 0.80, 6 rotatable bonds, 4 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3S)-1-(7H-pyrrolo[2,3-d]pyrimidin-4-yl)piperidin-3-yl]-2-(3-sulfamoylanilino)acetamide is sourced from PubChem (CID 124564707), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).