4-amino-2-benzylsulfanyl-N-(7-chloro-1H-indazol-5-yl)butanamide

C18H19ClN4OS — CID 10150412

IUPAC4-amino-2-benzylsulfanyl-N-(7-chloro-1H-indazol-5-yl)butanamide
SMILESNCCC(SCc1ccccc1)C(=O)Nc1cc(Cl)c2[nH]ncc2c1
InChIInChI=1S/C18H19ClN4OS/c19-15-9-14(8-13-10-21-23-17(13)15)22-18(24)16(6-7-20)25-11-12-4-2-1-3-5-12/h1-5,8-10,16H,6-7,11,20H2,(H,21,23)(H,22,24)
InChIKeyCPLUXVDPSAMREH-UHFFFAOYSA-N
MW374.90 g/mol
LogP3.81
Rot. Bonds7

About 4-amino-2-benzylsulfanyl-N-(7-chloro-1H-indazol-5-yl)butanamide

4-amino-2-benzylsulfanyl-N-(7-chloro-1H-indazol-5-yl)butanamide (PubChem CID 10150412) has the molecular formula C18H19ClN4OS and a molecular weight of 374.90 g/mol. Its IUPAC name is 4-amino-2-benzylsulfanyl-N-(7-chloro-1H-indazol-5-yl)butanamide.

Molecular Properties

Compound Name4-amino-2-benzylsulfanyl-N-(7-chloro-1H-indazol-5-yl)butanamide
PubChem CID10150412
Molecular FormulaC18H19ClN4OS
Molecular Weight374.90 g/mol
Exact Mass374.10
IUPAC Name4-amino-2-benzylsulfanyl-N-(7-chloro-1H-indazol-5-yl)butanamide
SMILESNCCC(SCc1ccccc1)C(=O)Nc1cc(Cl)c2[nH]ncc2c1
InChIInChI=1S/C18H19ClN4OS/c19-15-9-14(8-13-10-21-23-17(13)15)22-18(24)16(6-7-20)25-11-12-4-2-1-3-5-12/h1-5,8-10,16H,6-7,11,20H2,(H,21,23)(H,22,24)
InChIKeyCPLUXVDPSAMREH-UHFFFAOYSA-N
XLogP3.81
TPSA83.80 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500374.90
LogP ≤ 53.81
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

4-amino-N-(4-amino-3-methanimidoylphenyl)-2-benzylsulfanylbutanamide
CID 142270818
2-amino-N-(3,5-dichloro-4-fluorophenyl)-3-phenylpropanamide
CID 107574453
methyl 2-amino-3-(7-chloro-1H-indazol-5-yl)propanoate
CID 58864314
2-benzylsulfanyl-N-(3,4-dimethylphenyl)butanamide
CID 23801401
2-chloro-N-(1H-indazol-5-yl)-2-phenylacetamide
CID 43698093
(2S)-2-amino-N-(3,5-dichlorophenyl)-4-phenylbutanamide
CID 104983740
2-amino-N-(3-chloro-4-methylsulfanylphenyl)-3-phenylpropanamide
CID 156652616
4-amino-2-phenyl-N-(1H-pyrazolo[4,5-b]pyridin-5-yl)butanamide
CID 10171713
(2S)-2-benzylsulfanyl-N-(3-chlorophenyl)propanamide
CID 846629
2-benzylsulfanyl-N-(2,3,5,6-tetrafluorophenyl)butanamide
CID 23801430
[(2S)-6-amino-1-(1H-indazol-5-ylamino)-1-oxohexan-2-yl]carbamic acid
CID 90892202
3-benzylsulfanyl-4-chloro-N-(3,4,5-trifluorophenyl)benzamide
CID 145366762

Frequently Asked Questions

What is the IUPAC name of 4-amino-2-benzylsulfanyl-N-(7-chloro-1H-indazol-5-yl)butanamide?
The IUPAC name of 4-amino-2-benzylsulfanyl-N-(7-chloro-1H-indazol-5-yl)butanamide (CID 10150412) is 4-amino-2-benzylsulfanyl-N-(7-chloro-1H-indazol-5-yl)butanamide.
What is the SMILES notation for 4-amino-2-benzylsulfanyl-N-(7-chloro-1H-indazol-5-yl)butanamide?
The canonical SMILES for 4-amino-2-benzylsulfanyl-N-(7-chloro-1H-indazol-5-yl)butanamide is NCCC(SCc1ccccc1)C(=O)Nc1cc(Cl)c2[nH]ncc2c1.
What is the InChIKey of 4-amino-2-benzylsulfanyl-N-(7-chloro-1H-indazol-5-yl)butanamide?
The InChIKey is CPLUXVDPSAMREH-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H19ClN4OS/c19-15-9-14(8-13-10-21-23-17(13)15)22-18(24)16(6-7-20)25-11-12-4-2-1-3-5-12/h1-5,8-10,16H,6-7,11,20H2,(H,21,23)(H,22,24).
What are the key properties of 4-amino-2-benzylsulfanyl-N-(7-chloro-1H-indazol-5-yl)butanamide?
4-amino-2-benzylsulfanyl-N-(7-chloro-1H-indazol-5-yl)butanamide has a molecular weight of 374.90 g/mol, XLogP of 3.81, 7 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-amino-2-benzylsulfanyl-N-(7-chloro-1H-indazol-5-yl)butanamide is sourced from PubChem (CID 10150412), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).